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Changzhou Weijia Chemical Co.,Ltd.

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Web: http://www.wjchem.com.cn
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Address: RM811, No.517 Jinling Road, Changzhou, Jiangsu 213003, China
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Profile: Changzhou Weijia Chemical Co.,Ltd. is a manufacturer of pharmaceutical intermediates, peptide & amino acid derivatives, APIs and fine & specialty chemicals. Our product line includes unnatural amino derivatives include 9-fluorenemethanol, L-2-phenylglycinol, D-2-phenylalaninol, D-prolinamide, L-prolinamide and L-tert-leucine methylesterhydrochloride. The organic intermediates include 3-methoxybenzyl chloride, 3,3-pentamethylene-4-butyrolactam, 2-pyridine carboxylic acid, 2-chloro mandelic acid, 1,1-cyclohexanediacetic acid and 1-hydroxybenzotriazole.

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• 4-Aminophenethyl alcohol
IUPAC Name: 2-(4-aminophenyl)ethanol | CAS Registry Number: 104-10-9
Synonyms: 2-(4-Aminophenyl)ethanol, Benzeneethanol, 4-amino-, p-Aminophenethyl alcohol, 2-(p-Aminophenyl)ethanol, p-(2-Hydroxyethyl)aniline, Benzeneethanol, ar-amino, 4-(2-Hydroxyethyl)aniline, Phenethyl alcohol, p-amino-, Benzeneethanol, ar-amino-, Oprea1_680230, 261645_ALDRICH, EINECS 203-174-8, NSC409780, Phenethyl alcohol, p-amino- (8CI), ZINC04013051, NSC 409780, AI3-18010, ST5165370, TL8000173, InChI=1/C8H11NO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6,9H

Molecular Formula: C8H11NOMolecular Weight: 137.179040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: QXHDYMUPPXAMPQ-UHFFFAOYSA-N

• 2-Fluoro-2',3',5'-triacetoxyadenosine
IUPAC Name: [4-acetyloxy-5-(acetyloxymethyl)-2-(6-amino-2-fluoropurin-9-yl)oxolan-3-yl] acetate | CAS Registry Number: 15811-32-2
Synonyms: NSC108853, CID268563

Molecular Formula: C16H18FN5O7Molecular Weight: 411.341823 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 13

InChIKey: LDICZLRLPNWOIS-UHFFFAOYSA-N

• 4,4-Difluorocyclohexanecarboxylic acid
IUPAC Name: 4,4-difluorocyclohexane-1-carboxylic acid | CAS Registry Number: 122665-97-8
Synonyms: 4,4-difluorocyclohexane-1-carboxylic Acid, 4,4-Difluorocyclohexylcarboxylic acid, 4,4-difluorocyclohexanoic acid, cyclohexanecarboxylic acid, 4,4-difluoro-, 4,4-Difluorocyclohexanecarboxylicacid, SBB053457, AG-D-49173, 4, 4 -Difluoro-cyclohexane carboxylic acid, AC1MCUUL, PubChem15915, ACMC-209aln, SureCN18199, KSC174K3T, 4,4-DifluorocyclohexanoicAcid, difluorocyclohexanecarboxylicacid, 684651_ALDRICH, Jsp001523, 4,4-Difluorocyclohexanoic acid;, CTK0H4539, MolPort-000-160-191

Molecular Formula: C7H10F2O2Molecular Weight: 164.149906 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HYIUDFLDFSIXTR-UHFFFAOYSA-N

• 4,4'-Diaminobiphenyl-3,3'-Diol
IUPAC Name: 2-amino-5-(4-amino-3-hydroxyphenyl)phenol | CAS Registry Number: 2373-98-0
Synonyms: 3,3'-Dioxybenzidine, 3,3'-DIHYDROXYBENZIDINE, Benzidine, 3,3'-dihydroxy-, HSDB 4051, 3,3'-Dwuoksybenzydyna [Polish], m,m'-Biphenol, 6,6'-diamino-, CCRIS 9225, 3,3'-Biphenyldiol, 4,4'-diamino-, 4,4'-Diamino-3,3'-biphenyldiol, 4,4'-diaminobiphenyl-3,3'-diol, 3,3'-Dihydroxy-4,4'-diaminobiphenyl, CID16918, BRN 2725972, ZINC02038670, LS-1033, NCGC00091520-01, TL8001961, (1,1'-Biphenyl)-3,3'-diol, 4,4'-diamino-, (1,1'-Biphenyl)-4,4'-diamine, 3,3'-dihydroxy-, 3-13-00-02309 (Beilstein Handbook Reference)

Molecular Formula: C12H12N2O2Molecular Weight: 216.235880 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: ZGDMDBHLKNQPSD-UHFFFAOYSA-N

• 2,2,2-Trifluoro-1-Phenylethanon
IUPAC Name: 2,2,2-trifluoro-1-phenylethanone | CAS Registry Number: 434-45-7
Synonyms: Trifluoroacetophenone, Phenyl trifluoromethyl ketone, Trifluoromethyl phenyl ketone, 1,1,1-Trifluoroacetophenone, Acetophenone, 2,2,2-trifluoro-, 2,2,2-Trifluoro-1-phenylethanone, 2,2,2-TRIFLUOROACETOPHENONE, Ethanone, 2,2,2-trifluoro-1-phenyl-, 107840_ALDRICH, 91685_FLUKA, CID9905, alpha,alpha,alpha-Trifluoroacetophenone, NSC42752, EINECS 207-103-1, NSC 42752, ZINC01675545, Acetophenone, 2,2,2-trifluoro- (8CI), ST5410813, .alpha.,.alpha.,.alpha.-Trifluoroacetophenone, InChI=1/C8H5F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5

Molecular Formula: C8H5F3OMolecular Weight: 174.119910 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KZJRKRQSDZGHEC-UHFFFAOYSA-N

• (3r)-N-(tert-Butoxycarbonyl)-3-Amino-4-(2,4,5-Trifluorophenyl)butanoic Acid
IUPAC Name: (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic acid | CAS Registry Number: 486460-00-8
Synonyms: (3R)-N-(tert-Butoxycarbonyl)-3-amino-4-(2,4,5-trifluorophenyl)butanoic Acid, Boc-(R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid, (R)-N-Boc-3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid, (3R)-N-(tert-Butoxycarbonyl)-3-amino-4-(2,4,5-trifluorophenyl)butanoicacid, AC1OGBKG, PubChem18161, SureCN342707, BEN621, MolPort-003-794-892, ANW-45258, AC-1034, AG-B-16374, LS30286, (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic Acid, AK-35304, KB-01605, AB1004600, FT-0649686, X1035, X1036

Molecular Formula: C15H18F3NO4Molecular Weight: 333.302930 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: TUAXCHGULMWHIO-SECBINFHSA-N

• 2,2'-Diphenyldicarboxylic acid
IUPAC Name: 2-(2-carboxyphenyl)benzoic acid | CAS Registry Number: 482-05-3
Synonyms: DIPHENIC ACID, 2,2'-Bibenzoic acid, O,O'-Diphenic acid, 2,2'-Dicarboxybiphenyl, O,O'-Bibenzoic acid, 2,2'-Diphenic acid, Diphenic acid (8CI), 2,2'-Biphenyldicarboxylic acid, Biphenyl-2,2'-dicarboxylic acid, 126691_ALDRICH, 42670_FLUKA, CHEBI:23837, [1,1'-Biphenyl]-2,2'-dicarboxylic acid, 2,2'-Biphenyl-dicarboxylic acid, 2,2'-DICARBOXY DIPHENYL, NSC1966, AIDS018125, AIDS-018125, NSC 1966, EINECS 207-576-4

Molecular Formula: C14H10O4Molecular Weight: 242.226800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: GWZCCUDJHOGOSO-UHFFFAOYSA-N

• 5-Fluorooxindole
IUPAC Name: 5-fluoro-1,3-dihydroindol-2-one | CAS Registry Number: 56341-41-4
Synonyms: 5-Fluoro-2-oxindole, 586579_ALDRICH, ZINC02577869, ZERO/009566, CID3731012

Molecular Formula: C8H6FNOMolecular Weight: 151.137743 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DDIIYGHHUMKDGI-UHFFFAOYSA-N

• (R)-3-Hydroxypyrrolidine hydrochloride
IUPAC Name: (3R)-pyrrolidin-3-ol;hydrochloride | CAS Registry Number: 104706-47-0
Synonyms: (R)-(-)-3-Pyrrolidinol hydrochloride, (R)-3-Hydroxypyrrolidine HCl, (r)-pyrrolidin-3-ol hydrochloride, (R)-3-Pyrrolidinol hydrochloride, (3R)-pyrrolidin-3-ol hydrochloride, r-3-hydroxypyrrolidine-hcl, 3r-pyrrolidinol hydrochloride, (r)-(+)-3-pyrrolidinol hydrochloride, (3r)-3-hydroxypyrrolidine hydrochloride, (R)-(-)-3-Hydroxypyrrolidine Hydrochloride, PubChem7469, SureCN16919, AC1MC06G, AC1Q3DR5, KSC491E6J, 430722_ALDRICH, Jsp000461, CTK3J1264, MolPort-000-004-317, (r)-pyrrolidine-3-ol hydrochloride

Molecular Formula: C4H10ClNOMolecular Weight: 123.581300 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: QPMSJEFZULFYTB-PGMHMLKASA-N

• 2,6-DichloroPurine
IUPAC Name: 2,6-dichloro-7H-purine | CAS Registry Number: 5451-40-1
Synonyms: 2,6-Dichloropurine, 2, 6-Dichloropurine, Purine, 2,6-dichloro-, 2,6-dichloro-9H-purine, 2,6-Dichloro-1H-purine, 1H-Purine, 2,6-dichloro-, 2,6-DICHLORO PURINE, D73103_ALDRICH, 9H-purine, 2,6-dichloro-, 36390_FLUKA, AIDS021810, BM032, AIDS-021810, NSC18395, EINECS 226-681-6, NSC 18395, SBB000271, ZINC01769175, 1H-Purine, 2,6-dichloro- (9CI), KS-1014

Molecular Formula: C5H2Cl2N4Molecular Weight: 189.002180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RMFWVOLULURGJI-UHFFFAOYSA-N

• 2-Deoxy-2,2-difluoro-d-erythro-pentofuranos-1-ulose-3,5-dibenzoate
IUPAC Name: [(2R,3R)-3-benzoyloxy-4,4-difluoro-5-oxooxolan-2-yl]methyl benzoate | CAS Registry Number: 122111-01-7
Synonyms: 2-Deoxy-2,2-difluoro-D-erythro-pentafuranous-1-ulose-3,5-dibenzoate, SureCN881734, ERY001, 2-Deoxy-2,2-difluoro-D-erythro-pentonic acid |A-lactone 3,5-dibenzoate, CTK7F8528, MolPort-003-986-309, ZINC04975969, AKOS015965558, AC-4262, AG-A-07734, AK-25329, TL8000588, FT-0600773, A804844, 3,5-Bis(benzoyl)-2-deoxy-2,2-difluoro-1-oxoribose, 2-Deoxy-2,2-difluoro-D-erythro-pentafuranous-1-ulose-3,5-dibe nzoate, 2-Deoxyl-2,2-difluoro-D-erythro-pentofuranos-1-ulose-3,5-dibenzoate, D-erythro-Pentonic acid, 2-deoxy-2,2-difluoro-|A-lactone, 3,5-dibenzoate-, D-erythro-Pentonicacid, 2-deoxy-2,2-difluoro--lactone,3,5-dibenzoate, ((2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydrofuran-2-yl)methyl benzoate

Molecular Formula: C19H14F2O6Molecular Weight: 376.307666 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: SHHNEUNVMZNOID-HUUCEWRRSA-N

• 3,4-Dihydroxy benzonitrile
IUPAC Name: 3,4-dihydroxybenzonitrile | CAS Registry Number: 17345-61-8
Synonyms: Protocatechuonitrile, 3,4-Dihydroxybenzonitrile, 538396_ALDRICH, EINECS 241-367-9, SBB008582, ZINC00157092, FR-2291, TL8001371

Molecular Formula: C7H5NO2Molecular Weight: 135.120100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: NUWHYWYSMAPBHK-UHFFFAOYSA-N

• 3-Thienylmalonic acid
IUPAC Name: 2-thiophen-3-ylpropanedioic acid | CAS Registry Number: 21080-92-2
Synonyms: 3-Thienylpropanedioic acid, 3-Thiophenemalonic acid, (3-Thienyl)malonic acid, Thiophene-3-malonic acid, Propanedioic acid, 3-thienyl-, 215317_ALDRICH, alpha-Carboxythiophene-3-acetic acid, EINECS 244-198-9, ST5308440, TL8001752

Molecular Formula: C7H6O4SMolecular Weight: 186.185140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: GCOOGCQWQFRJEK-UHFFFAOYSA-N

• 2-[1H-Benzotriazol-1-yl]-1,1,3,3-Tetramethyluronium Hexafluorophosphate
IUPAC Name: [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium | CAS Registry Number: 94790-37-1
Synonyms: ZINC00156069, CID130500, ZINC05224349

Molecular Formula: C11H16N5O+Molecular Weight: 234.277640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: CLZISMQKJZCZDN-UHFFFAOYSA-N

• 2,2',4'-Trichloroacetophenone
IUPAC Name: 2-chloro-1-(2,4-dichlorophenyl)ethanone | CAS Registry Number: 4252-78-2
Synonyms: CCRIS 633, 2,4-Dichlorophenacyl chloride, 159255_ALDRICH, omega,2,4-Trichloroacetophenone, EINECS 224-218-2, Acetophenone, 2,2',4'-trichloro-, LS-114, ZINC00155415, 2,2',4'-TRICHLORACETOPHENONE, NCGC00091258-01, 2-Chloro-1-(2,4-dichlorophenyl)ethanone, Ethanone, 2-chloro-1-(2,4-dichlorophenyl)-

Molecular Formula: C8H5Cl3OMolecular Weight: 223.483700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VYWPPRLJNVHPEU-UHFFFAOYSA-N

• 5-Phenyltetrazole
IUPAC Name: 5-phenyl-2H-tetrazole | CAS Registry Number: 18039-42-4
Synonyms: Phenyltetrazole, 5-Phenyl tetrazole, Expandex 5PT, Expandex OX 5PT, 5-Phenyl-2H-tetrazole, Kempore 50XPT, 1H-Tetrazole, 5-phenyl-, 5-Phenyl-1H-tetrazole, 2H-Tetrazole, 5-phenyl-, Tetrazole, 5-phenyl-, 5-Phenyltetrazole (VAN), 5-phenyl-2H-tetraazole, Enamine_005030, MA 1623, MLS000779707, 347744_ALDRICH, Tetrazole, 5-phenyl- (6CI), EINECS 241-950-8, NSC 11138, AIDS084282

Molecular Formula: C7H6N4Molecular Weight: 146.149340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MARUHZGHZWCEQU-UHFFFAOYSA-N

• 2-Methylpyrazine- 5-Carboxylic Acid
IUPAC Name: 5-methylpyrazine-2-carboxylic acid | CAS Registry Number: 5521-55-1
Synonyms: 5-Methyl-2-pyrazinecarboxylic acid, 2-Methylpyrazine-5-carboxylic acid, 347647_ALDRICH, AIDS044806, Pyrazinecarboxylic acid, 5-methyl-, AIDS-044806, CID122831, SBB006622, NCGC00167497-01, TL806280

Molecular Formula: C6H6N2O2Molecular Weight: 138.124040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RBYJWCRKFLGNDB-UHFFFAOYSA-N

• 2-Naphthalene Acetic Acid
IUPAC Name: 2-naphthalen-2-ylacetic acid | CAS Registry Number: 581-96-4
Synonyms: Betoxan, 2-Naphthylacetic acid, beta-Naphthylacetic acid, beta-Naphthaleneacetate, beta-Naphthaleneacetic acid, 2-NAPHTHALENEACETIC ACID, 2-(2-Naphthyl)acetic acid, 2-Napthylacetic acid, .beta.-Naphthaleneacetic acid, Naphthalen-2-ylacetic acid, .beta.-Naphthaleneacetate, .beta.-Naphthylacetic acid, NSC 301, N4002_ALDRICH, 2-NAA, Oprea1_126163, Oprea1_331755, NSC301, 70910_FLUKA, CHEBI:37837

Molecular Formula: C12H10O2Molecular Weight: 186.206600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VIBOGIYPPWLDTI-UHFFFAOYSA-N

• (R)-(+)-9-(2-Hydroxypropyl)adenine
IUPAC Name: (2R)-1-(6-aminopurin-9-yl)propan-2-ol | CAS Registry Number: 14047-28-0
Synonyms: (R)-9-(2-hydroxypropyl) adenine, (R)-(+)-9-(2-HYDROXYPROPYL)ADENINE, (R)-1-(6-Amino-9H-purin-9-yl)propan-2-ol, 9-HYDROXYPROPYLADENINE, R-ISOMER, (2R)-1-(6-aminopurin-9-yl)propan-2-ol, 9-hydroxypropyladenine, s-isomer, AG-D-81161, PubChem9984, AC1L9HLR, SureCN1393316, KSC522E2H, CTK4C2223, (R)-9-(2-Hydroxypropyl)adenine, MolPort-019-903-826, ANW-46026, SBB070343, ZINC02046906, AKOS006286534, AKOS015855516, AG-C-19507

Molecular Formula: C8H11N5OMolecular Weight: 193.205840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MJZYTEBKXLVLMY-RXMQYKEDSA-N

• 6-Methyl-4-oxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
IUPAC Name: 6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide | CAS Registry Number: 120279-88-1
Synonyms: 4H-Thieno[2,3-b]thiopyran-2-sulfonamide,5,6-dihydro-6-methyl-4-oxo-, SureCN2351369, ACMC-1C2X9, CTK4B1780, ANW-62237, SBB066608, AKOS015898689, AG-D-44154, AK102316, KB-45783, FT-0658987, A804483, I09-1360, 6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide, 6-methyl-4-oxidanylidene-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide, 4H-thieno[2,3-b]thiopyran-2-sulfonamide, 5,6-dihydro-6-methyl-4-oxo-;Dorzolamide intermediate;

Molecular Formula: C8H9NO3S3Molecular Weight: 263.356960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: QMNAQPMXDMLOLD-UHFFFAOYSA-N

• 4H-Thieno[2,3-b]thiopyran-2-sulfonamide, 5,6-dihydro-4-hydroxy-6-methyl-,7,7-dioxide
IUPAC Name: 4-hydroxy-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide | CAS Registry Number: 120279-26-7
Synonyms: 5,6-Dihydro-4-hydroxy-6-methyl-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide, 4-hydroxy-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide, ACMC-1BZIE, SureCN2348864, AGN-PC-001A2Y, CTK0H4692, SBB066607, AKOS015898688, AG-D-44149, FT-0659484, A804481, I09-1359, 5,6-Dihydro-4H-4-Hydroxy-6-methyl thieno [2,3,b] thiopyran-2-sulfonamide-7,7-Dioxide, 6-methyl-4-oxidanyl-7,7-bis(oxidanylidene)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide

Molecular Formula: C8H11NO5S3Molecular Weight: 297.371640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: ZXSUWHJGLUHKPC-UHFFFAOYSA-N

• 2,7-dihydroxy-9-fluorenone
IUPAC Name: 2,7-dihydroxyfluoren-9-one | CAS Registry Number: 42523-29-5
Synonyms: 2,7-Dihydroxy-9-fluorenone, 2,7-dihydroxy-9H-fluoren-9-one, 2,7-Dihydroxyfluorenone, AG-F-51199, ZINC00235319, zlchem 310, ChemDivAM_000848, ChemDiv1_019145, SureCN539276, AC1N92YX, 2,7-dihydroxyfluoren-9-one, Oprea1_047542, Compound 0356-0002, KSC238A5D, CHEMBL491290, CTK1D8051, HMS641G05, ZLC0135, MolPort-001-817-967, ACT08565

Molecular Formula: C13H8O3Molecular Weight: 212.200820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CWHPQXRTQSNTRR-UHFFFAOYSA-N

• 8-Azabicyclo[3.2.1]octane, 3-[3-Methyl-5-(1-Methylethyl)-4h-1,2,4-Triazol-4-Yl]-, (3-Exo)-
IUPAC Name: (1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane | CAS Registry Number: 423165-07-5
Synonyms: (1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane, Maraviroc intermediate, SureCN13543096, SureCN13543097, MolPort-008-155-913, AKOS015918410, AK103286, KB-105489, FT-0665937, I14-8435, (1R,3S,5S)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane, (3-exo)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane, (3-exo)-3-[3-Methyl-5-(prop-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octane, 4-[(3-exo)-8-Azabicyclo[3.2.1]oct-3-yl]-3-isopropyl-5-methyl-4H-1,2,4-triazole

Molecular Formula: C13H22N4Molecular Weight: 234.340580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CEIRCCADSFHOQD-FOSCPWQOSA-N

• 4,4'-Methylenebis(2-Ethyl-6-Methylaniline)
IUPAC Name: 4-[(4-amino-3-ethyl-5-methylphenyl)methyl]-2-ethyl-6-methylaniline | CAS Registry Number: 19900-72-2
Synonyms: CCRIS 3325, MolPort-003-986-577, CID155611, ZINC05140299, 4,4'-Methylenebis(2-ethyl-6-methylaniline), 4,4'-Methylenebis(2-methyl-6-ethylaniline), 4,4'-Methylene-bis(2-ethyl-6-methylaniline), LS-188495, TL8001644, Bis(4-amino-3-ethyl-5-methylphenyl)methane, M1238, I01-3373, 4,4'-Diamino-3,3'-diethyl-5,5'-dimethyldiphenylmethane

Molecular Formula: C19H26N2Molecular Weight: 282.423140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: QJENIOQDYXRGLF-UHFFFAOYSA-N

• 3-Isobutylglutaric acid
IUPAC Name: 3-(2-methylpropyl)pentanedioic acid | CAS Registry Number: 75143-89-4
Synonyms: 3-isobutylglutaric acid, 3-(2-methylpropyl)pentanedioic Acid, AG-G-99387, ACMC-1BF08, CTK5E1202, ANW-53939, SBB065993, 3-(2-methylpropyl)pentanedioic acid;, AKOS015841726, LS41047, Pentanedioic acid,3-(2-methylpropyl)-, RP24819, AK-50091, KB-32356, FT-0657207, A838334, I04-1068

Molecular Formula: C9H16O4Molecular Weight: 188.220940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: UATSLDZQNXAKMA-UHFFFAOYSA-N

• 1-(1-Naphthyl)Ethylamine
IUPAC Name: 1-naphthalen-1-ylethanamine | CAS Registry Number: 42882-31-5
Synonyms: 1-(1-Naphthyl)ethylamine, ()-1-(1-Naphthyl)ethylamine, 294926_ALDRICH, 70715_FLUKA, (+/-)1-(1-Naphthyl)ethylamine, NSC75881, NSC75882, R-(+)-1-(1-Naphthyl)ethylamine, EINECS 223-425-5, NSC 75881, NSC180601, (S)-(-)-.alpha.-(1-Naphthyl)ethylamine, GL-0344, NSC 180601, 1-Naphthalenemethanamine, alpha-methyl-, ()-alpha-Methyl-1-naphthalenemethylamine, (R)-alpha-Methyl-1-naphthalenemethanamine, AI3-26857, ST5209067, TL8003035

Molecular Formula: C12H13NMolecular Weight: 171.238320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RTCUCQWIICFPOD-UHFFFAOYSA-N

• 1,1-Cyclohexanediacetic Acid
IUPAC Name: 2-[1-(carboxymethyl)cyclohexyl]acetic acid | CAS Registry Number: 4355-11-7
Synonyms: 1,1-Cyclohexanediacetic acid, Cyclohexanediacetic acid, 1,1-Cyclohexane diacetic acid, Oprea1_388207, 171344_ALDRICH, CID78061, NSC39839, EINECS 224-427-9, NSC169443, [1-(carboxymethyl)cyclohexyl]acetic acid, AN-829/41297703, T5641089, 9355-11-7

Molecular Formula: C10H16O4Molecular Weight: 200.231640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: YQPCHPBGAALCRT-UHFFFAOYSA-N

• 2-Naphthaldehyde
IUPAC Name: naphthalene-2-carbaldehyde | CAS Registry Number: 66-99-9
Synonyms: beta-Naphthaldehyde, 2-Naphthalenecarboxaldehyde, 2-Formylnaphthalene, beta-Naphthylaldehyde, beta-Formylnaphthalene, .beta.-Naphthaldehyde, beta-Naphthylcarboxaldehyde, .beta.-Naphthylaldehyde, .beta.-Formylnaphthalene, N206_ALDRICH, .beta.-Naphthylcarboxaldehyde, NSC 8557, EINECS 200-640-2, NAPHTHALENE-2-CARBONITRILE, NSC8557, 2-Naphthalenecarboxaldehyde (9CI), BRN 0507750, c0701, ZINC01644079, LS-94156

Molecular Formula: C11H8OMolecular Weight: 156.180620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PJKVFARRVXDXAD-UHFFFAOYSA-N

• 4-Fluorophenylboronic Acid
IUPAC Name: (4-fluorophenyl)boronic acid | CAS Registry Number: 1765-93-1
Synonyms: 4-Fluorophenylboronic acid, 4-Fluorobenzeneboronic acid, Phenylboronic Acid, 7, p-fluorophenylboronic acid, (4-fluorophenyl)boronic acid, p-fluorobenzeneboronic acid, (4-fluorophenyl)boranediol, (4-fluorophenyl)dihydroxyborane, 417556_ALDRICH, CHEBI:48661, BM034, ALBB-006109, NSC142683, AC 33410, TL8001403

Molecular Formula: C6H6BFO2Molecular Weight: 139.920043 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LBUNNMJLXWQQBY-UHFFFAOYSA-N

• 2-Methyl-3-biphenylmethanol
IUPAC Name: (2-methyl-3-phenylphenyl)methanol | CAS Registry Number: 76350-90-8
Synonyms: 361631_ALDRICH, (2-Methyl-3-biphenylyl)methanol, (1,1'-Biphenyl)-3-methanol, 2-methyl-, (2-Methyl[1,1'-biphenyl]-3-yl)methanol, TL8005215

Molecular Formula: C14H14OMolecular Weight: 198.260360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BGTLHJPGBIVQLJ-UHFFFAOYSA-N

• 3,5-Difluorobenzyl alcohol
IUPAC Name: (3,5-difluorophenyl)methanol | CAS Registry Number: 79538-20-8
Synonyms: (3,5-Difluorophenyl)methanol, JRD-0441, ZINC00164758, ST5306851

Molecular Formula: C7H6F2OMolecular Weight: 144.118746 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LOGIHEKXJKHXEC-UHFFFAOYSA-N

• 4-(Phenylethynyl)phthalic anhydride
IUPAC Name: 5-(2-phenylethynyl)-2-benzofuran-1,3-dione | CAS Registry Number: 119389-05-8
Synonyms: 4-Phenylethynylphthalic Anhydride, 4-(2-Phenylethynyl)phthalic Anhydride, CID11053989, 1,3-Isobenzofurandione, 5-(phenylethynyl)-, 5-(2-phenylethynyl)isobenzofuran-1,3-dione, P1437, TL80090891, 1,3-Isobenzofurandione, 5-(2-phenylethynyl)-

Molecular Formula: C16H8O3Molecular Weight: 248.232920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UPGRRPUXXWPEMV-UHFFFAOYSA-N

• 2-Cyanosuccinic acid dimethyl ester
IUPAC Name: dimethyl 2-cyanobutanedioate | CAS Registry Number: 6283-71-2
Synonyms: Dimethyl cyanosuccinate, NSC7708, Succinic acid, cyano-, dimethyl ester, CID94907, BRN 1781500, AI3-11155, Butanedioic acid, cyano-, dimethyl ester, LS-147410, Butanedioic acid, cyano-, dimethyl ester (9CI), 0-02-00-00813 (Beilstein Handbook Reference)

Molecular Formula: C7H9NO4Molecular Weight: 171.150660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: PJAMMJHRVPQDMS-UHFFFAOYSA-N

• 4(N N-Dimethylamine)Pyridine
IUPAC Name: N,N-dimethylpyridin-4-amine | CAS Registry Number: 1122-58-3
Synonyms: dmap, 4-Dimethylaminopyridine, p-Dimethylaminopyridine, 4-(Dimethylamino)pyridine, 4-Pyridinamine, N,N-dimethyl-, Pyridine, 4-(dimethylamino)-, N,N-Dimethylpyridin-4-amine, gamma-(Dimethylamino)pyridine, CCRIS 6176, N,N-DIMETHYL-4-PYRIDINAMINE, 107700_ALDRICH, 522805_ALDRICH, 522821_ALDRICH, 4-DIMETHYLAMINO PYRIDINE, 39405_FLUKA, EINECS 214-353-5, BRN 0110354, N,N-dimethyl-N-(4-pyridinyl)amine, SBB008765, LS-131426

Molecular Formula: C7H10N2Molecular Weight: 122.167700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VHYFNPMBLIVWCW-UHFFFAOYSA-N

• 9-Fluorenemethanol
IUPAC Name: 9H-fluoren-9-ylmethanol | CAS Registry Number: 24324-17-2
Synonyms: 9-Fluorenylmethanol, Fluorene-9-methanol, 9H-Fluorene-9-methanol, (Fluoren-9-yl)methanol, 9H-Fluoren-9-ylmethanol, 9-(Hydroxymethyl)fluorene, ChemDiv3_002715, 160504_ALDRICH, ZINC01004778, CID90466, EINECS 246-167-5, SBB008508, FR-2190, EU-0076483, F-2870, AN-512/13501009

Molecular Formula: C14H12OMolecular Weight: 196.244480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: XXSCONYSQQLHTH-UHFFFAOYSA-N

• 3,4-Difluorophenylboronic Acid
IUPAC Name: (3,4-difluorophenyl)boronic acid | CAS Registry Number: 168267-41-2
Synonyms: 3,4-Difluorophenylboronic acid, 465089_ALDRICH, 3,4-Difluorobenzeneboronic acid, (3,4-difluorophenyl)boronic acid, ALBB-006122, D2680G1, AC 35916, TL8001301

Molecular Formula: C6H5BF2O2Molecular Weight: 157.910506 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: RMGYQBHKEWWTOY-UHFFFAOYSA-N

• 5-Azacytosine
IUPAC Name: 6-amino-1H-1,3,5-triazin-2-one | CAS Registry Number: 931-86-2
Synonyms: s-Triazin-2-ol, 4-amino-, 4-Amino-1,3,5-triazin-2-one, 855049_ALDRICH, 2-Amino-4-hydroxy-sym-triazine, s-Triazin-2(1H)-one, 4-amino-, 11387_FLUKA, EINECS 213-242-9, 4-AMINO-S-TRIAZIN-2-OL, NSC 51100, NSC 54006, AIDS023084, 1,3,5-Triazin-2(1H)-one, 4-amino-, AIDS-023084, NSC51100, NSC54006, 4-Amino-1,3,5-triazin-2(1H)-one, ZINC01845522, LS-155640, TL8005911, A-9450

Molecular Formula: C3H4N4OMolecular Weight: 112.090060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: MFEFTTYGMZOIKO-UHFFFAOYSA-N

• 2-Fluoro-4-Chloro-5-Sulfamoyl Benzoic Acid
IUPAC Name: 4-chloro-2-fluoro-5-sulfamoylbenzoic acid | CAS Registry Number: 4793-22-0
Synonyms: 4-Chloro-2-fluoro-5-sulfamylbenzoic acid, 4-chloro-2-fluoro-5-sulfamoylbenzoic acid, 2-Fluoro-4-chloro-5-sulfamoyl benzoic acid, SBB068283, AG-F-63198, 4-CHLORO-2-FLUORO-5-SULPHAMOYLBENZOIC ACID, SureCN2876194, AKOS BBV-011278, CTK4J0482, MolPort-001-771-712, ANW-58228, AKOS000130850, AS00818, 4-Chloro-2-fluoro-5-sulfamylbenzoicacid, AC-10953, AK-86851, LS-36034, 4-chloro-2-fluoro-5-sulfamoyl benzoic acid, KB-170450, KB-190486

Molecular Formula: C7H5ClFNO4SMolecular Weight: 253.635303 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: FDPTZONHYRXKLK-UHFFFAOYSA-N

• 2-(Cyclohexylao)Ethanesulfonic Acid
IUPAC Name: 2-(cyclohexylamino)ethanesulfonic acid | CAS Registry Number: 103-47-9
Synonyms: N-Cyclohexyltaurine, CHES, 1m5m, Taurine, N-cyclohexyl-, C2885_SIGMA, C8210_SIGMA, 2-(Cyclohexylamino)ethanesulfonic acid, Taurine, N-cyclohexyl- (8CI), 29311_FLUKA, EINECS 203-115-6, NSC120726, Ethanesulfonic acid, 2-(cyclohexylamino)-, 2-(Cyclohexylamino)ethanesulphonic acid, DB03309, N-Cyclohexyl-2-aminoethanesulfonic acid, NSC 120726, 2-(N-Cyclohexylamino)ethanesulfonic acid, ST5308381, TL8000149, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID

Molecular Formula: C8H17NO3SMolecular Weight: 207.290480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: MKWKNSIESPFAQN-UHFFFAOYSA-N

• 3,5-Di-tert-butyl-4-hydroxybenzaldehyde
IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzaldehyde | CAS Registry Number: 1620-98-0
Synonyms: 140406_ALDRICH, EINECS 216-592-0, NSC 14450, 3,5-Di-t-butyl-4-hydroxybenzaldehyde, NSC14450, BRN 0982526, SBB007996, ZINC00056443, Benzaldehyde, 3,5-di-tert-butyl-4-hydroxy-, FR-0717, 4-Hydroxy-3,5-di-tert-butylbenzaldehyde, Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, LS-24985, TL8001234, 4-08-00-00601 (Beilstein Handbook Reference), 3,5-Di-tert-butyl-4-hydroxybenzaldehyde hemihydrate, 2,6-Ditert-butyl-4-(hydroxymethylene)-2,5-cyclohexadien-1-one, Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-4-hydroxy- (9CI), 2,3,5,6-Detetrahydrocyclohexanone, 2,6-di-t-butyl-4-hydroxymethylene-, InChI=1/C15H22O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-9,17H,1-6H

Molecular Formula: C15H22O2Molecular Weight: 234.333980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DOZRDZLFLOODMB-UHFFFAOYSA-N

• (R)-(+)-4-Methyl-1,3-dioxolan-2-one
IUPAC Name: (4R)-4-methyl-1,3-dioxolan-2-one | CAS Registry Number: 16606-55-6
Synonyms: (R)-(+)-Propylene carbonate, (R)-4-Methyl-1,3-dioxolan-2-one, (R)-PropyleneCarbonate, (R)-1,2-PROPYLENE CARBONATE, (R)-1,2-Propanediol cyclic carbonate, (4R)-4-methyl-1,3-dioxolan-2-one, PubChem6059, (R)-Propylene Carbonate, AC1LD3MQ, SureCN748245, KSC493I9J, 540013_ALDRICH, Jsp003338, CTK3J3494, MolPort-001-758-105, ANW-22184, ZINC02041090, (R)-(+)-1,2-Propylene Carbonate, AKOS015840866, AKOS015900872

Molecular Formula: C4H6O3Molecular Weight: 102.088640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RUOJZAUFBMNUDX-GSVOUGTGSA-N

• 1,3-Bis(4-aminophenoxy)benzene
IUPAC Name: 4-[3-(4-aminophenoxy)phenoxy]aniline | CAS Registry Number: 2479-46-1
Synonyms: RODA, Resorcinol oxydianiline, Maybridge3_000438, ChemDiv2_000189, CCRIS 6684, Oprea1_569946, CBDivE_002807, MLS000719868, 4,4'-(m-Phenylenedioxy)dianiline, 476323_ALDRICH, AIDS185674, 1,3-Phenylene-di-4-aminophenyl ether, 1,3-Phenylenedi(4-aminophenyl ether), AIDS-185674, BRN 0423316, ANILINE, p,p'-(m-PHENYLENEDIOXY)DI-, ZINC00135553, 4,4'-(1,3-Phenylenedioxy)dianiline, 4-[3-(4-aminophenoxy)phenoxy]aniline, IDI1_011825

Molecular Formula: C18H16N2O2Molecular Weight: 292.331840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: WUPRYUDHUFLKFL-UHFFFAOYSA-N

• 4-Chlorobutanal dimethyl acetal
IUPAC Name: 4-chloro-1,1-dimethoxybutane | CAS Registry Number: 29882-07-3
Synonyms: 4-Chloro-1,1-dimethoxybutane, EINECS 249-924-8, CID122536

Molecular Formula: C6H13ClO2Molecular Weight: 152.619220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LTLKJYMNUSSFAH-UHFFFAOYSA-N

• 3,4-Dihydroxy-5-methoxybenzaldehdye
IUPAC Name: 3,4-dihydroxy-5-methoxybenzaldehyde | CAS Registry Number: 3934-87-0
Synonyms: 5-Hydroxyvanillin, 3,4-Dihydroxy-5-methoxybenzaldehyde, 5-Methoxyprotocatechualdehyde, Protocatechualdehyde, 5-methoxy-, Benzaldehyde, 3,4-dihydroxy-5-methoxy-, 464120_ALDRICH, EINECS 223-513-3, NSC 16679, NSC16679, BRN 1956546, ZINC01747212, Protocatechualdehyde, 5-methoxy- (8CI), LS-25008, NCI60_001317, ST5135912, TL8002843, 4-08-00-02718 (Beilstein Handbook Reference), InChI=1/C8H8O4/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-4,10-11H,1H

Molecular Formula: C8H8O4Molecular Weight: 168.146720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: RRKMWVISRMWBAL-UHFFFAOYSA-N

• 4-Piperidinopiperidine
IUPAC Name: 1-piperidin-4-ylpiperidine | CAS Registry Number: 4897-50-1
Synonyms: 1,4'-Bipiperidine, 1,4'-Bipiperidyl, 4-PIPERIDINO-PIPERIDINE, 1-piperidin-4-ylpiperidine, 4-piperidin-1-ylpiperidine, 4-(1-piperidinyl)piperidine, 534498_ALDRICH, CHEBI:40117, ALBB-005340, EINECS 225-522-8, DB03056, ST5406560, TL8003278, 4PN, InChI=1/C10H20N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h10-11H,1-9H, 4876-60-2

Molecular Formula: C10H20N2Molecular Weight: 168.279200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QDVBKXJMLILLLB-UHFFFAOYSA-N

• 2-Naphthylacrylic acid
IUPAC Name: (Z)-3-naphthalen-2-ylprop-2-enoate | CAS Registry Number: 51557-26-7
Synonyms: ZINC05224894

Molecular Formula: C13H9O2-Molecular Weight: 197.209360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KWGPBDBAAXYWOJ-VURMDHGXSA-M

• 3,4-Dimethoxyphenethyl alcohol
IUPAC Name: 2-(3,4-dimethoxyphenyl)ethanol | CAS Registry Number: 7417-21-2
Synonyms: Homoveratryl alcohol, 2-(3,4-Dimethoxyphenyl)ethanol, 3,4-Dimethoxyphenethanol, 3,4-Dimethoxybenzeneethanol, NCIOpen2_001861, Benzeneethanol, 3,4-dimethoxy-, 197653_ALDRICH, Phenethyl alcohol, 3,4-dimethoxy-, EINECS 231-032-5, NSC101852, NSC179202, ZINC00406990, 3,4-Dimethoxy-.beta.-phenethyl alcohol, 1-(2-Hydroxyethyl)-3,4-dimethoxybenzene, AI3-39210, ST5406424, TL8005121

Molecular Formula: C10H14O3Molecular Weight: 182.216360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SRQAJMUHZROVHW-UHFFFAOYSA-N

• 1,3-Bis(3-Aminophenoxy) Benzene
IUPAC Name: 3-[3-(3-aminophenoxy)phenoxy]aniline | CAS Registry Number: 10526-07-5
Synonyms: 1,3-Bis(3-aminophenoxy)benzene, 3,3'-(m-Phenylenedioxy)dianiline, EINECS 234-082-6, SBB008356, ZINC00057118, 3,3'-(m-Phenylenebis(oxy))dianiline, FR-1279, Benzenamine, 3,3'-[1,3-phenylenebis(oxy)]bis-, Benzenamine, 3,3'-(1,3-phenylenebis(oxy))bis-

Molecular Formula: C18H16N2O2Molecular Weight: 292.331840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DKKYOQYISDAQER-UHFFFAOYSA-N

• 2-Naphthoyl Chloride
IUPAC Name: naphthalene-2-carbonyl chloride | CAS Registry Number: 2243-83-6
Synonyms: 2-Naphthoyl chloride, beta-Naphthoyl chloride, 2-Naphthoic chloride, 2-Napthoyl chloride, 2-Naphthalenecarbonyl chloride, Ambap7254, .beta.-Naphthoyl chloride, 2-(Chlorocarbonyl)naphthalene, 250260_ALDRICH, beta-Naphthalenecarbonyl chloride, NSC9842, .beta.-Naphthalenecarbonyl chloride, NSC 9842, EINECS 218-822-5, ZINC01700214, TL8001881

Molecular Formula: C11H7ClOMolecular Weight: 190.625680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XNLBCXGRQWUJLU-UHFFFAOYSA-N

• 2-Fluoroadenosine
IUPAC Name: (2R,3R,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 146-78-1
Synonyms: 2-Far, 2-Fas, F-Ara-A, Ambap1078, Fludarabine des-phosphate, ADENOSINE, 2-FLUORO-, MLS001066367, F2773_SIGMA, SRI 727, 656402_ALDRICH, CHEBI:39740, NSC 30605, BRN 0043956, PDSP1_001071, PDSP2_001055, 6-Amino-2-fluoro-9-beta-D-ribofuranosylpurine, AI3-52599, NCGC00181336-01, LS-15139, SMR000471849

Molecular Formula: C10H12FN5O4Molecular Weight: 285.231783 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 10

InChIKey: HBUBKKRHXORPQB-UUOKFMHZSA-N


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