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• Avobenzone
IUPAC Name: 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione | CAS Registry Number: 70356-09-1
Synonyms: Photoplex, Capital Soleil, Mixture Name, Anthelios SX, Parsol 1789, Avobenzone [USAN:INN], Avobenzonum [INN-Latin], Spectrum_001715, Avobenzona [INN-Spanish], SpecPlus_000764, Avobenzone (USP/INN), Butyl methoxydibenzoylmethane, Spectrum2_001663, Spectrum3_000990, Spectrum4_001116, Spectrum5_001358, BSPBio_002659, KBioGR_001592, KBioSS_002195, DivK1c_006860

Molecular Formula: C20H22O3Molecular Weight: 310.386880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XNEFYCZVKIDDMS-UHFFFAOYSA-N

• Benzene, 1-Bromo-2-Cyclopropyl-
IUPAC Name: 1-bromo-2-cyclopropylbenzene | CAS Registry Number: 57807-28-0
Synonyms: 1-BROMO-2-CYCLOPROPYLBENZENE, SureCN10046437, Benzene,1-bromo-2-cyclopropyl-, CTK5A7483, MolPort-021-798-475, ANW-61097, AKOS006307927, AG-G-04311, AK-61867, KB-152343, A8230, FT-0688602, (2-Bromophenyl)cyclopropane;1-Bromo-2-cyclopropylbenzene;o-Bromophenylcyclopropane;

Molecular Formula: C9H9BrMolecular Weight: 197.071760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: DTUGHJZKCKSVEO-UHFFFAOYSA-N

• Benzene, 1-fluoro-3-iodo-
IUPAC Name: 1-fluoro-3-iodobenzene | CAS Registry Number: 1121-86-4
Synonyms: m-Fluoroiodobenzene, m-Iodofluorobenzene, 3-Fluoroiodobenzene, 3-Iodofluorobenzene, 1-Fluoro-3-iodobenzene, Ambap32, nchembio.87-comp33, 1-Fluoro-3-iodo-benzene, 219398_ALDRICH, NSC10279, EINECS 214-339-9, NSC 10279, InChI=1/C6H4FI/c7-5-2-1-3-6(8)4-5/h1-4

Molecular Formula: C6H4FIMolecular Weight: 221.998833 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VSKSBSORLCDRHS-UHFFFAOYSA-N

• Boronic Acid, (1-Chloro-4-Isoquinolinyl)-
IUPAC Name: (1-chloroisoquinolin-4-yl)boronic acid | CAS Registry Number: 848841-48-5
Synonyms: 1-Chloroisoquinoline-4-boronic acid, (1-Chloroisoquinolin-4-yl)boronic acid, CTK5F3367, MolPort-020-173-012, AKOS015950253, AG-H-39846, AK119334, KB-205074, 1-CHLORO-4-ISOQUINOLINYL BORONIC ACID, {\\rtf1\\ansi\\deff0{\\fonttbl{\\f0\\fnil\\fcharset0 MS Sans Serif;}}\\viewkind4\\uc1\\pard\\lang1033\\f0\\fs17 1-Chloroisoquinoline-4-boronic acid\\par}

Molecular Formula: C9H7BClNO2Molecular Weight: 207.421380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LIQWKDFYRGYBQH-UHFFFAOYSA-N

• Cis-2-Aminocyclohexanol Hydrochloride
IUPAC Name: (1S,2R)-2-aminocyclohexan-1-ol chloride | CAS Registry Number: 6936-47-6
Synonyms: NSC21549

Molecular Formula: C6H13ClNO-Molecular Weight: 150.626520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LKKCSUHCVGCGFA-IBTYICNHSA-M

• Dl-Beta-(3-Chlorophenyl)alanine
IUPAC Name: (3S)-3-azaniumyl-3-(3-chlorophenyl)propanoate | CAS Registry Number: 68208-21-9
Synonyms: ZINC00169798, ZINC00169800, CID6934113

Molecular Formula: C9H10ClNO2Molecular Weight: 199.634200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LIDRHPCWOYOBIZ-QMMMGPOBSA-N

• DL-Propargylglycine
IUPAC Name: 2-aminopent-4-ynoic acid | CAS Registry Number: 64165-64-6
Synonyms: Propargylglycine, Propargyl glycine, D,L-Propargylglycine, 2-Amino-4-pentynoic acid, nchembio.212-comp6, L-2-Amino-4-pentynoic acid, 2-Aminopent-4-ynoic acid, 4-Pentynoic acid, 2-amino-, P7888_SIGMA, AKE-BBV-089945, MolPort-003-959-342, (+-)-2-Amino-4-pentynoic acid, CID95575, NSC21940, BBV-089945, 4-Pentynoic acid, 2-amino-, (+-)-, LS-186007, 50428-03-0, PAG

Molecular Formula: C5H7NO2Molecular Weight: 113.114580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: DGYHPLMPMRKMPD-UHFFFAOYSA-N

• Drotaverine Hcl
IUPAC Name: (1Z)-1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline hydrochloride | CAS Registry Number: 985-12-6
Synonyms: Tetraspasmin-Lefa, No-Spa, No-Spa hydrochloride, Drotaverin hydrochloride, Drotaverinium chloride, DROTAVERINE HYDROCHLORIDE, C24H31NO4.HCl, Isodihydroperparine hydrochloride, LS-85887, TL8000901, 6,7,3',4'-Tetraethoxy-1-benzal-1,2,3,4-tetrahydroisoquinoline hydrochloride, Isoquinoline, 1-(3,4-diethoxybenzylidene)-6,7-diethoxy-1,2,3,4-tetrahydro-, hydrochloride, Isoquinoline, 1,2,3,4-tetrahydro-6,7-diethoxy-1-((3,4-diethoxyphenyl)methylene)-, hydrochloride, Isoquinoline, 1-((3,4-diethoxyphenyl)methylene)-6,7-diethoxy-1,2,3,4-tetrahydro-, hydrochloride, 14009-24-6, Isoquinoline, 1,2,3,4-tetrahydro-6,7-diethoxy-1-((3,4-diethoxyphenyl)methylene)-,hydrochloride

Molecular Formula: C24H32ClNO4Molecular Weight: 433.968180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: JBFLYOLJRKJYNV-MASIZSFYSA-N

• Escitalopram
IUPAC Name: (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile | CAS Registry Number: 128196-01-0
Synonyms: (S)-Citalopram, S(+)-Citalopram, Escitalopram [INN], Escitalopram oxalate, Spectrum_001401, Tocris-1427, Spectrum2_000551, Spectrum3_001062, Spectrum4_001212, Spectrum5_001693, Lopac-C-7861, BSPBio_002644, KBioGR_001644, KBioSS_001881, SPBio_000621, CHEBI:36791, KBio2_001881, KBio2_004449, KBio2_007017, KBio3_001864

Molecular Formula: C20H21FN2OMolecular Weight: 324.391943 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: WSEQXVZVJXJVFP-FQEVSTJZSA-N

• Ethanone, 1-(2-chloro-3-pyridinyl)-
IUPAC Name: 1-(2-chloropyridin-3-yl)ethanone | CAS Registry Number: 55676-21-6
Synonyms: 3-Acetyl-2-chloropyridine, 1-(2-chloropyridin-3-yl)ethanone, 2-Chloro-3-acetylpyridine, 1-(2-Chloro-3-pyridinyl)-1-ethanone, 2-Chloro-3-acetyl-pyridine, SBB065578, AG-F-94860, 1-(2-chloropyridin-3-yl)ethan-1-one, PubChem14410, ACMC-1AKGL, KSC497O6D, CTK3J7761, MolPort-000-001-331, WT576, 1-(2-chloro-3-pyridinyl)ethanone, ACT09849, ANW-32364, ZINC02513861, 1-(2-chloranylpyridin-3-yl)ethanone, 1-(2-Chloro-pyridin-3-yl)-ethanone

Molecular Formula: C7H6ClNOMolecular Weight: 155.581640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WIWIOUAFBHZLNQ-UHFFFAOYSA-N

• Ethyl N-Benzyl-3-Ketopiperidine-4-Carboxylate
IUPAC Name: ethyl 3-oxo-1-(phenylmethyl)piperidine-4-carboxylate | CAS Registry Number: 39514-19-7
Synonyms: BTBG 00139, ALBB-009330, EINECS 254-482-4, EINECS 258-162-5, SDCCGMLS-0065899.P001, Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate, TL8002853, SR-01000641956-1, 1-Benzyl-3-oxo-piperidine-4-carboxylic acid ethyl ester, Ethyl N-benzyl-3-oxopiperidine-4-carboxylate hydrochloride, 52763-21-0

Molecular Formula: C15H19NO3Molecular Weight: 261.316260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JYFGIESQUYQLGM-UHFFFAOYSA-N

• Fmoc-Dap(Boc)-OH
IUPAC Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid | CAS Registry Number: 162558-25-0
Synonyms: Fmoc-Dap(Boc)-OH;, 198544-42-2, N-Fmoc-N'-Boc-L-2,3-Diaminopropionic acid, AmbotzFAA1320, Fmoc-Dapa(Boc)-OH, Fmoc-D-Dap(Boc)-OH, Fmoc-D-Dpr(Boc)-OH, Fmoc-D-Dapa(Boc)-OH, SureCN12757436, CTK8E9923, MolPort-003-725-381, AKOS015892813, AC-19141, AK-44577, Fmoc-N3-Boc-D-2,3-diaminopropionic acid, FT-0687296, Fmoc-(N-A-Boc)-D-A,A-diaminopropionic acid, Fmoc-N-beta-Boc-D-2,3-diaminopropionic acid, N2-Fmoc-N3-Boc-D-2,3-diaminopropionic acid, Fmoc-(N-beta-Boc)-D-alpha,beta-diaminopropionicacid

Molecular Formula: C23H26N2O6Molecular Weight: 426.462340 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: PKAUMAVONPSDRW-LJQANCHMSA-N

• Hexamethylene Diisocyanate (HDI)
IUPAC Name: 1,6-diisocyanatohexane | CAS Registry Number: 822-06-0
Synonyms: 1,6-Diisocyanatohexane, Hexane, 1,6-diisocyanato-, HMDI, Desmodur H, HDI cpd, Hexane 1,6-diisocyanate, HEXAMETHYLENE DIISOCYANATE, 1,6-Hexamethylene diisocyanate, 1,6-Hexylene diisocyanate, 1,6-hexane diisocyanate, Isocyanic acid, hexamethylene ester, WLN: OCN6NCO, 1,6-Hexanediol diisocyanate, Szesciometylenodwuizocyjanian, Hexamethylendiisokyanat [Czech], Hexamethylene-1,6-diisocyanate, TL 78, Metyleno-bis-fenyloizocyjanian, HSDB 6134, D124702_ALDRICH

Molecular Formula: C8H12N2O2Molecular Weight: 168.193080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: RRAMGCGOFNQTLD-UHFFFAOYSA-N

• Isoquinoline-4-Carbaldehyde
IUPAC Name: isoquinoline-4-carbaldehyde | CAS Registry Number: 22960-16-3
Synonyms: Isoquinoline-4-carbaldehyde, Isoquinoline-4-carboxaldehyde, 4-Formylisoquinoline, 4-Isoquinolinecarboxaldehyde, 4-Formylisoquinoline;, PubChem15962, ACMC-20aig4, KSC201K4F, Jsp004633, CTK1A1542, MolPort-000-142-291, ANW-74834, SBB087204, WTI-10199, ZINC02570382, AKOS013153142, AC-2842, AG-C-78661, CC04904, MB01497

Molecular Formula: C10H7NOMolecular Weight: 157.168680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RNQQJLYJLDQGGL-UHFFFAOYSA-N

• Levocetirizine
IUPAC Name: 2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid | CAS Registry Number: 130018-77-8
Synonyms: Xusal, Xyzal, cetirizine, Xazal, (-)-Cetirizine, Xazal (TN), Levocetirizine (INN), Levocetirizine [INN], Levocetirizine [INN:BAN], MLS000759420, MLS001401375, PDSP1_000117, PDSP1_000269, PDSP2_000117, PDSP2_000268, CID1549000, CPD000466315, LS-11410, SAM001246575, SMR000466315

Molecular Formula: C21H25ClN2O3Molecular Weight: 388.887800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: ZKLPARSLTMPFCP-OAQYLSRUSA-N

• M-Bromophenylcyclopropane
IUPAC Name: 1-bromo-3-cyclopropylbenzene | CAS Registry Number: 1798-85-2
Synonyms: 1-bromo-3-cyclopropylbenzene, SBB054182, AG-E-30130, PubChem22120, 3-Cyclopropylbromobenzene, SureCN957833, AC1MM9Z1, 3-bromo-1-cyclopropylbenzene, Benzene,1-bromo-3-cyclopropyl-, CTK4D7417, MolPort-001-761-143, ANW-58499, ZINC54959949, AKOS003596734, RP04104, AK-81509, BL003565, KB-11681, FT-0684608, Y8043

Molecular Formula: C9H9BrMolecular Weight: 197.071760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: BCBNVQYWODLZSI-UHFFFAOYSA-N

• N,N'-Dimethyl-3-aminopyrrolidine
IUPAC Name: (1-methylpyrrolidin-3-yl)methanamine | CAS Registry Number: 13005-11-3
Synonyms: (1-methylpyrrolidin-3-yl)methanamine, C-(1-Methyl-pyrrolidin-3-yl)-methylamine, (1-methyl-3-pyrrolidinyl)methanamine, 1-(1-methylpyrrolidin-3-yl)methanamine, (1-methylpyrrolidin-3-yl)methylamine, F2147-0254, AC1Q3ZNS, AC1Q3ZNT, SureCN90397, AGN-PC-01GBDO, CTK7E6707, 3-Aminomethyl-1-methylpyrrolidine, MolPort-001-793-613, HT058, 3-Pyrrolidinemethanamine, 1-methyl-, ANW-57589, BBL021734, STK894451, AKOS000190772, AG-B-17988

Molecular Formula: C6H14N2Molecular Weight: 114.188760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BAOBZCAXECCBQL-UHFFFAOYSA-N

• N-Benzyl-3-pyrrolidone
IUPAC Name: 1-(phenylmethyl)pyrrolidin-3-one | CAS Registry Number: 775-16-6
Synonyms: N-Benzyl-3-pyrrolidinone, 1-Benzyl-3-pyrrolidinone, 1-(Benzyl)pyrrolidin-3-one, 185175_ALDRICH, EINECS 212-274-0, 3-Pyrrolidinone, 1-(phenylmethyl)-, ST5405397

Molecular Formula: C11H13NOMolecular Weight: 175.227020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DHGMDHQNUNRMIN-UHFFFAOYSA-N

• N-Boc-3-piperidineacetic acid
IUPAC Name: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid | CAS Registry Number: 183483-09-2
Synonyms: Ambp912300, (1-Boc-piperidin-3-yl)-acetic acid

Molecular Formula: C12H21NO4Molecular Weight: 243.299440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QZYGREZDLJVVSV-UHFFFAOYSA-N

• N-Boc-4,4-Difluoro-L-Proline
IUPAC Name: (2S)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid | CAS Registry Number: 203866-15-3
Synonyms: N-BOC-4,4-DIFLUORO-L-PROLINE, (S)-1-(tert-Butoxycarbonyl)-4,4-difluoropyrrolidine-2-carboxylic acid, N-t-BOC-4,4-Difluoro-L-proline, AG-E-49435, (2s)-1-(tert-butoxycarbonyl)-4,4-difluoropyrrolidine-2-carboxylic acid, SureCN185992, CTK4E4088, MolPort-003-990-543, BOC-L-4,4-DIFLUOROPROLINE, BOC-L-PRO(4,4-DIFLUORO), BOC-4,4-DIFLUORO-L-PRO-OH, BOC-4,4-DIFLUORO-L-PROLINE, ANW-74245, FD2039, AKOS005064113, AKOS015950477, PB21203, RP07263, AK-76436, AM807695

Molecular Formula: C10H15F2NO4Molecular Weight: 251.227206 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: WTMZYKCXBXPVPT-LURJTMIESA-N

• N-Fluoro-N'-chloromethyltriethylenediaminebis(tetrafluoroborate)
IUPAC Name: 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane | CAS Registry Number: 140681-55-6
Synonyms: ZINC02512248, CID2724934

Molecular Formula: C7H14ClFN2+2Molecular Weight: 180.650863 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZQGDSZPGKPJABN-UHFFFAOYSA-N

• N-Fmoc-N'-(2,4-dinitrophenyl)-L-2,3-diaminopropionic acid
IUPAC Name: (2S)-3-(2,4-dinitroanilino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid | CAS Registry Number: 140430-54-2
Synonyms: (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-((2,4-dinitrophenyl)amino)propanoic acid, AmbotzFAA1463, CTK8C5146, ANW-74345, AK-61220, FT-0679754, I14-15331, N-beta-2,4-Dinitrophenyl fmoc-L-diaminopropionic acid, (2S)-3-[(2,4-dinitrophenyl)amino]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

Molecular Formula: C24H20N4O8Molecular Weight: 492.437600 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: GLJCJFFDYXFRQX-NRFANRHFSA-N

• N-Phenyltrifluoromethane sulphonimide
IUPAC Name: 1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide | CAS Registry Number: 37595-74-7
Synonyms: Phenyl triflimide, 295973_ALDRICH, 78175_FLUKA, N-Phenyltrifluoromethanesulfonimide, N-Phenyl-trifluoromethanesulfonimide, N-Phenyl-bis(trifluoromethanesulfonimide), NSC240874, ZINC01081128, N,N-Bis(trifluoromethylsulfonyl)aniline, N-Phenylbis(trifluoromethanesulphonimide), 3S103817, 3S210817, 1,1,1-Trifluoro-N-phenyl-N-[(trifluoromethyl)sulfonyl]methanesulfonamide

Molecular Formula: C8H5F6NO4S2Molecular Weight: 357.250019 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 11

InChIKey: DIOHEXPTUTVCNX-UHFFFAOYSA-N

• N-t-Boc-4-oxo-L-proline
IUPAC Name: (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopyrrolidine-2-carboxylic acid | CAS Registry Number: 84348-37-8
Synonyms: N-Boc-4-oxo-L-proline, N-t-boc-4-oxo-L-proline, SBB067204, AG-H-36948, (S)-1-(Tert-Butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic acid, (2S)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-oxo-2-pyrrolidinecarboxylic acid, (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxidanylidene-pyrrolidine-2-carboxylic acid, Boc-L-Pro(4-oxo), PubChem18727, SureCN204965, KSC496K0R, (2S)-1-(tert-butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic acid, 681202_ALDRICH, CTK3J6508, MolPort-000-002-200, ACT02238, ANW-37761, FC1252, N-tert-butoxycabonyl-4-oxo-L-proline, AKOS015836547

Molecular Formula: C10H15NO5Molecular Weight: 229.229800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: CKYGSXRXTIKGAJ-ZETCQYMHSA-N

• o-Chlorotrityl Chloride
IUPAC Name: 1-chloro-2-[chloro-di(phenyl)methyl]benzene | CAS Registry Number: 42074-68-0
Synonyms: 2-Chlorotrityl chloride, 532282_ALDRICH, 532290_ALDRICH, 532304_ALDRICH, 554790_ALDRICH, 26568_FLUKA, 26569_FLUKA, 73311_FLUKA, EINECS 255-647-3, Chloro(2-chlorophenyl)diphenylmethane, 2-Chlorotrityl chloride, polymer-bound, 1-Chloro-2-(chlorodiphenylmethyl)benzene, StratoSpheres PL-Cl-Trt-Cl (2-chlorotrityl Cl) resin, 2,alpha-Dichlorobenzhydryl-polystyrene crosslinked with divinylbenzene

Molecular Formula: C19H14Cl2Molecular Weight: 313.220460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: JFLSOKIMYBSASW-UHFFFAOYSA-N

• Pyrrolo[3,4-C]pyrazole, 1,4,5,6-Tetrahydro-
IUPAC Name: 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole | CAS Registry Number: 769895-06-9
Synonyms: 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole, 2,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole, AG-H-07497, pyrrolo[3,4-c]pyrazole, 1,4,5,6-tetrahydro, 6573-19-9, SureCN823958, AC1Q1IE2, SureCN1371426, KSC643M8D, CTK5E3681, CTK8B7356, MolPort-008-266-662, MolPort-022-470-318, ANW-45568, ANW-57104, WTI-11429, AKOS005259183, AKOS006237684, PB29527, RP18928

Molecular Formula: C5H7N3Molecular Weight: 109.129180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: CVRWHBCQJCUBFE-UHFFFAOYSA-N

• trans-2-Aminocyclohexanol hydrochloride
IUPAC Name: (1R,2R)-2-aminocyclohexan-1-ol hydrochloride | CAS Registry Number: 5456-63-3
Synonyms: 222577_ALDRICH, AA222

Molecular Formula: C6H14ClNOMolecular Weight: 151.634460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: LKKCSUHCVGCGFA-KGZKBUQUSA-N

• Trimethyl(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silane
IUPAC Name: trimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane | CAS Registry Number: 134695-74-2
Synonyms: (2,3,4,5-Tetramethyl-2,4-cyclopentadiene-1-yl)-trimethylsilane, Trimethyl(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane, trimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane, ACMC-20addw, AC1MQQPQ, PubChem15079, SureCN2234301, 463418_ALDRICH, CTK8C2364, MolPort-003-933-791, Trimethyl-(2,3,4,5-tetramethyl-1-cyclopenta-2,4-dienyl)silane, ANW-68274, AKOS015910258, AK-80520, KB-62626, A806825, I14-40773

Molecular Formula: C12H22SiMolecular Weight: 194.388580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: VEUUNIUMKJTBJB-UHFFFAOYSA-N

• ((3R,4S)-4-(3-Fluorophenyl)pyrrolidin-3-yl)methanol
IUPAC Name: [4-(3-fluorophenyl)pyrrolidin-3-yl]methanol | CAS Registry Number: 915390-10-2
Synonyms: ((3R,4S)-4-(3-FLUOROPHENYL)PYRROLIDIN-3-YL)METHANOL, A10892

Molecular Formula: C11H14FNOMolecular Weight: 195.233363 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: HOJIBLLFDVLDFW-UHFFFAOYSA-N

• ((3R,4S)-4-Phenylpyrrolidin-3-yl)methanol
IUPAC Name: (4-phenylpyrrolidin-3-yl)methanol | CAS Registry Number: 848307-24-4
Synonyms: ((3R,4S)-4-PHENYLPYRROLIDIN-3-YL)METHANOL, AGN-PC-00M0ZF, SureCN1239831, (4-phenylpyrrolidin-3-yl)methanol, AKOS004119320, A10174

Molecular Formula: C11H15NOMolecular Weight: 177.242900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: MMDOXIYRYUVGPQ-UHFFFAOYSA-N

• ((3S,4R)-4-(4-Chlorophenyl)pyrrolidin-3-yl)methanol
IUPAC Name: [4-(4-chlorophenyl)pyrrolidin-3-yl]methanol | CAS Registry Number: 55438-52-3
Synonyms: ((3S,4R)-4-(4-CHLOROPHENYL)PYRROLIDIN-3-YL)METHANOL, AGN-PC-00M0ZG, CTK8J2571, MCULE-3098807289, A8024, [4-(4-chlorophenyl)pyrrolidin-3-yl]methanol

Molecular Formula: C11H14ClNOMolecular Weight: 211.687960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: CAPQIHOUMBRMTA-UHFFFAOYSA-N

• (-)-3-Dehydroshikimic Acid
IUPAC Name: (4S,5R)-4,5-dihydroxy-3-oxocyclohexene-1-carboxylate | CAS Registry Number: 2922-42-1
Synonyms: 5-dehydroshikimate, 3-dehydro-shikimate, 3-dehydroshikimic acid, 5-dehydroshikimic acid, CHEBI:16630, ZINC05157163, CID5460360, (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylate, 10457-99-5

Molecular Formula: C7H7O5-Molecular Weight: 171.127480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: SLWWJZMPHJJOPH-PHDIDXHHSA-M

• (1-Ethynylcyclopropyl)Benzene
IUPAC Name: (1-ethynylcyclopropyl)benzene | CAS Registry Number: 139633-98-0
Synonyms: (1-ETHYNYLCYCLOPROPYL)BENZENE, 1-(1-ethynylcyclopropyl)benzene, AG-D-79821, (1-Ethynyl-cyclopropyl)-benzene, CTK4C1892, ANW-69141, AKOS006281825, RP01322, AK-42007, KB-00311, AB1006220, AM20020466, FT-0083208, FT-0651317, Y7495, I14-13572

Molecular Formula: C11H10Molecular Weight: 142.197100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: JZMJNHMUPFGYFK-UHFFFAOYSA-N

• (1-Isocyanoethyl)benzene
IUPAC Name: 1-isocyanoethylbenzene | CAS Registry Number: 17329-20-3
Synonyms: (1-isocyanoethyl)benzene, 1-isocyanoethylbenzene, AC1LATAW, a-Methylbenzyl isocyanide, 1,1-Isocyanophenylethane, Benzene,(1-isocyanoethyl)-, D-(+)-?Methylbenzylisocyanide, L-(-)-?Methylbenzylisocyanide, CTK4D4578, MolPort-000-156-607, GEO-01780, AKOS005257531, AG-A-11500, AG-E-22779, AK114727, KB-00329, FT-0694118

Molecular Formula: C9H9NMolecular Weight: 131.174460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KCCAPMXVCPVFEH-UHFFFAOYSA-N

• (1-methyl-1H-imidazol-2-yl)methanol
IUPAC Name: (1-methylimidazol-2-yl)methanol | CAS Registry Number: 17334-08-6
Synonyms: Imidazole-2-methanol, 1-methyl-, ZINC03883461, (1-Methyl-1H-imidazol-2-yl)methanol, CID573612, 1H-Imidazole-2-methanol, 1-methyl-, TL8006983, 12H-013, AE-848/30896059

Molecular Formula: C5H8N2OMolecular Weight: 112.129820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CDQDMLWGTVLQEE-UHFFFAOYSA-N

• (2-chloro-pyridin-3-yl)-methylamine
IUPAC Name: (2-chloropyridin-3-yl)methanamine | CAS Registry Number: 205744-14-5
Synonyms: (2-chloropyridin-3-yl)methanamine, 3-Aminomethyl-2-chloropyridine, SBB052458, AG-E-50911, (2-Chloropyridin-3-yl)methylamine, PubChem17749, 2-chloro-3-aminomethylpyridine, (2-chloro-3-pyridyl)methylamine, 3-Pyridinemethanamine,2-chloro-, CTK4E4574, 2-chloro-3-(aminomethyl)pyridine, MolPort-004-747-894, ANW-66651, WTI-10411, AKOS006293959, AM84711, RP01333, C-(2-Chloro-pyridin-3-yl)-methylamine, AK-30417, KB-01100

Molecular Formula: C6H7ClN2Molecular Weight: 142.586180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LTUCSFLPOBNIHD-UHFFFAOYSA-N

• (2r,4r)-N-Boc-4-Hydroxy-2-Methylpyrrolidine
IUPAC Name: tert-butyl (2R,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate | CAS Registry Number: 114676-93-6
Synonyms: AG-D-35100, (2R,4R)-N-BOC-4-HYDROXY-2-METHYLPYRROLIDINE, SureCN2202251, CTK4A8849, 1-Pyrrolidinecarboxylicacid, 4-hydroxy-2-methyl-, 1,1-dimethylethyl ester, (2R,4R)-, AKOS015840329, AK-55296, 1-Pyrrolidinecarboxylicacid, 4-hydroxy-2-methyl-, 1,1-dimethylethyl ester, (2R-trans)-;(2R,4R)-1-(tert-Butoxycarbonyl)-4-hydroxy-2-methylpyrrolidine;

Molecular Formula: C10H19NO3Molecular Weight: 201.262760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BXZADLGAYWRZCR-HTQZYQBOSA-N

• (2s,4r)-N-Boc-4-Hydroxy-3,3-Dimethylpyrrolidine-2-Carboxylic Acid
IUPAC Name: 4-hydroxy-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid | CAS Registry Number: 173913-66-1
Synonyms: (2S,4R)-1-(TERT-BUTOXYCARBONYL)-4-HYDROXY-3,3-DIMETHYLPYRROLIDINE-2-CARBOXYLIC ACID, SureCN875744, CTK8H2585, (2S,4R)-N-Boc-4-hydroxy-3,3-dimethylpyrrolidine-2-carboxylicacid

Molecular Formula: C12H21NO5Molecular Weight: 259.298840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: KHLBNVGMWMAGJM-UHFFFAOYSA-N

• (2S,4S)-4-Fluoro-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylic acid
IUPAC Name: (2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid | CAS Registry Number: 203866-13-1
Synonyms: N-Boc-cis-4-fluoro-L-proline, (2S,4S)-1-(tert-Butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid, BOC-FLP-OH, N-tert-butoxycarbonyl-cis-4-fluoro-L-proline, (2S,4S)-1-(tert-Butoxycarbonyl)-4-fluoro-2-pyrrolidinecarboxylic Acid, BOC-CIS-PRO(4-F)-OH, BOC-CIS-4-FLUORO-PRO-OH, BOC-CIS-4-FLUORO-L-PROLINE, SBB065965, (2S,4S)-1-Boc-4-fluoro-2-pyrrolidinecarboxylic Acid, (2S,4S)-4-Fluoro-N-Boc-Pyrrolidine-2-carboxylic acid, N-T-BOC-CIS-4-FLUORO-L-PROLINE, (2S,4S)-4-FLUORO-1-TERT-BUTOXYCARBONYL-PYRROLIDINE-2-CARBOXYLIC ACID, CIS-4-FLUORO-L-PROLINE, N-BOC PROTECTED, N-(T-BUTOXYCARBONYL)-CIS-4-FLUORO-L-PROLINE, S,S-N-BOC-5-FLUOROPYRROLIDINE-2-CARBOXYLIC ACID, (2S,4S)-1-BOC-4-FLUOROPYRROLIDINE-2-CARBOXYLIC ACID, (2S,4S)-BOC-4-FLUORO-PYRROLIDINE-2-CARBOXYLIC ACID, BOC-(2S,4S)-4-FLUORO-PYRROLIDINE-2-CARBOXYLIC ACID, N-BOC-(4S,2S)-4-FLUORO-2-PYRROLIDINECARBOXYLIC ACID

Molecular Formula: C10H16FNO4Molecular Weight: 233.236743 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: YGWZXQOYEBWUTH-BQBZGAKWSA-N

• (3,5-Dimethyl-4-Isoxazolyl)methanol
IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methanol | CAS Registry Number: 19788-36-4
Synonyms: 4-Isoxazolemethanol, 3,5-dimethyl-, NSC151752, CID289575, STK366546, ZINC00158505, (3,5-Dimethyl-4-isoxazolyl)methanol, BBV-5097216, (3,5-dimethyl-1,2-oxazol-4-yl)methanol

Molecular Formula: C6H9NO2Molecular Weight: 127.141160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JISPGFYJPXGNBY-UHFFFAOYSA-N

• (3-Cyclopropylbenzyl)amine
IUPAC Name: (3-cyclopropylphenyl)methanamine | CAS Registry Number: 852877-59-9
Synonyms: (3-cyclopropylphenyl)methanamine, (3-CYCLOPROPYLBENZYL)AMINE, SureCN3176710, CTK5F4708, Benzenemethanamine,3-cyclopropyl-, MolPort-012-885-761, ANW-67492, AKOS011779191, AG-H-43017, AK-88170, KB-207313, FT-0689690, A10228, (3-Cyclopropylbenzyl)amine;(3-Cyclopropylphenyl)methanamine

Molecular Formula: C10H13NMolecular Weight: 147.216920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: KKROKOWBIBXNKW-UHFFFAOYSA-N

• (3-Phenylisoxazol-5-Yl)methanol
IUPAC Name: (3-phenyl-1,2-oxazol-5-yl)methanol | CAS Registry Number: 90924-12-2
Synonyms: (3-phenyl-5-isoxazolyl)methanol, CHEBI:333340, ZINC00167629, (3-Phenyl-isoxazol-5-yl)-methanol, CID2763417, BBV-25186089, TL8005831

Molecular Formula: C10H9NO2Molecular Weight: 175.183960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CITYOBPAADIHAD-UHFFFAOYSA-N

• (3R,4R)-1-Benzyl-3,4-dihydroxypyrrolidine-2,5-dione
IUPAC Name: (3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione | CAS Registry Number: 75172-31-5
Synonyms: (3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione, ST039719, (3R,4R)-1-Benzyl-3,4-dihydroxy-2,5-pyrrolidinedione, (3R,4R)-(+)-3,4-Dihydroxy-1-(phenylmethyl)-2,5pyrrolidinedione, 2,5-pyrrolidinedione, 3,4-dihydroxy-1-(phenylmethyl)-,(3r,4r)-, MLS001174505, AC1LE430, AC1Q6F24, SCHEMBL1503988, CHEMBL1304711, CTK5E1231, IZBMPGFJNIDMRR-RKDXNWHRSA-N, MolPort-002-930-112, HMS2858C06, ACT10182, AR-1D4594, STK014593, ZINC18090550, AKOS003415330, CB-4052

Molecular Formula: C11H11NO4Molecular Weight: 221.209340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: IZBMPGFJNIDMRR-RKDXNWHRSA-N

• (3R,4R)-3,4-Difluoropyrrolidin-1-ylethanol
IUPAC Name: 1-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]ethanol | CAS Registry Number: 871822-43-4
Synonyms: (3R,4R)-3,4-DIFLUOROPYRROLIDIN-1-YLETHANOL, CTK5F8033, AKOS006307929, 1-Pyrrolidineethanol,3,4-difluoro-, (3R,4R)-, 822D434

Molecular Formula: C6H11F2NOMolecular Weight: 151.150 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: DMLZWOWSUJJYJL-YSLANXFLSA-N

• (3R,4R)-4-Isobutylpyrrolidine-3-carboxylic acid
IUPAC Name: 4-(2-methylpropyl)pyrrolidine-3-carboxylic acid | CAS Registry Number: 261896-39-3
Synonyms: (3R,4R)-4-ISOBUTYLPYRROLIDINE-3-CARBOXYLIC ACID, SureCN6674924, AGN-PC-007G58, CTK8H8858, AKOS013254595, A5197, (3R,4R)-4-Isobutylpyrrolidine-3-carboxylicacid, (3S,4S)-4-ISOBUTYLPYRROLIDINE-3-CARBOXYLIC ACID, (3S,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic Acid

Molecular Formula: C9H17NO2Molecular Weight: 171.236780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WPLPJEWZNOILAV-UHFFFAOYSA-N

• (3R,4R)-4-Isopropylpyrrolidine-3-carboxylic acid
IUPAC Name: (3R,4R)-4-propan-2-ylpyrrolidine-3-carboxylic acid | CAS Registry Number: 261896-36-0
Synonyms: SCHEMBL1815567, MolPort-028-599-669, Y-7571, rac-(3R,4R)-4-isopropyl-3-pyrrolidinecarboxylic acid

Molecular Formula: C8H15NO2Molecular Weight: 157.210200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: NQULSPPHDFWDLL-RQJHMYQMSA-N

• (3R,4R)-N-Boc-3-(benzylamino)-4-hydroxypyrrolidine
IUPAC Name: tert-butyl (3R,4R)-3-(benzylamino)-4-hydroxypyrrolidine-1-carboxylate | CAS Registry Number: 429673-83-6
Synonyms: ALBB-007817, tert-butyl (3R,4R)-3-(benzylamino)-4-hydroxypyrrolidine-1-carboxylate, SureCN707352, CTK4I6840, MolPort-000-002-213, STK504823, AKOS005171666, AKOS015839225, AG-B-52098, AG-F-52486, B67300, trans-3-Benzylamino-1-Boc-4-hydroxypyrrolidine, 1-Pyrrolidinecarboxylicacid, 3-hydroxy-4-[(phenylmethyl)amino]-, 1,1-dimethylethyl ester, (3R,4R)-, tert-Butyl(3R,4R)-3-(benzylamino)-4-hydroxypyrrolidine-1-carboxylate;(3R,4R)-N-Boc-3-(benzylamino)-4-hydroxypyrrolidine;

Molecular Formula: C16H24N2O3Molecular Weight: 292.373360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: GVYATPKTSSTHKN-ZIAGYGMSSA-N

• (3R,4R)-N-Cbz-3,4-difluoropyrrolidine
IUPAC Name: benzyl (3R,4R)-3,4-difluoropyrrolidine-1-carboxylate | CAS Registry Number: 790658-58-1
Synonyms: (3R,4R)-N-CBZ-3,4-DIFLUOROPYRROLIDINE, (3R,4R)-benzyl 3,4-difluoropyrrolidine-1-carboxylate, AG-H-16989, CTK5E6406, AKOS016010885, LS30164, AK115854, KB-207534, A9889, 1-Pyrrolidinecarboxylicacid, 3,4-difluoro-, phenylmethyl ester, (3R,4R)-, (3R,4R)-Benzyl 3,4-difluoropyrrolidine-1-carboxylate; (3R,4R)-3,4-Difluoro-1-pyrrolidinecarboxylic acid phenylmethyl ester

Molecular Formula: C12H13F2NO2Molecular Weight: 241.233926 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: NCRXQCGIQTUUJZ-GHMZBOCLSA-N

• (3R,4S)-4-Phenylpyrrolidine-3-carboxylic acid
IUPAC Name: (3R,4S)-4-phenylpyrrolidine-3-carboxylic acid | CAS Registry Number: 652971-46-5
Synonyms: (3R,4S)-4-PHENYLPYRROLIDINE-3-CARBOXYLIC ACID, PubChem18491, SureCN1817856, CTK5C2511, AKOS006283433, AG-G-45728, LS30162, AK113020, KB-207572

Molecular Formula: C11H13NO2Molecular Weight: 191.226420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XTJDGOQYFKHEJR-ZJUUUORDSA-N

• (3R,5S,6E)-7-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoic acid
IUPAC Name: sodium;(E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoate | CAS Registry Number: 155229-75-7
Synonyms: FLUVASTATIN SODIUM, Lescol, Fluvastatin (sodium), 93957-55-2, Fluvastatin sodium salt, Sri-62320, Canef, Fractal, Lipaxan, Vastin, Locol, CHEBI:77602, KS-1062, Lescol XL, XU 62-320, XU-62-320, C24H25FNNaO4, DSSTox_CID_24758, DSSTox_RID_80451, DSSTox_GSID_44758

Molecular Formula: C24H25FNNaO4Molecular Weight: 433.455 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: ZGGHKIMDNBDHJB-NRFPMOEYSA-M


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