PRODUCT NAME | CAS Registry Number |
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Molecular Formula: | C17H18O7 | Molecular Weight: | 334.324 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 7 |
InChIKey: KYKVYJIXFWNHTF-UVYGVSRESA-N
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IUPAC Name: methyl (2R,4aS,6aR,6aS,14aS,14bR)-9-formyl-10,11-dihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate | CAS Registry Number: 87064-16-2
Synonyms: CHEMBL465485, SCHEMBL2400960, MolPort-039-338-955, ZINC35880869
Molecular Formula: | C30H38O6 | Molecular Weight: | 494.628 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 6 |
InChIKey: HFOZJSCLBUTFCX-NLVUKCNFSA-N
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IUPAC Name: (6aS,6bS,8aS,11R,12aR,14aR)-2,3-dihydroxy-11-methoxycarbonyl-6a,6b,8a,11,14a-pentamethyl-5-oxo-7,8,9,10,12,12a,13,14-octahydropicene-4-carboxylic acid | CAS Registry Number: 78012-25-6
Synonyms: zeylasterone, CHEMBL518411, SCHEMBL2398368
Molecular Formula: | C30H38O7 | Molecular Weight: | 510.627 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 7 |
InChIKey: DXDSZUXZQIKMRQ-GMZGOHOASA-N
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IUPAC Name: [(1S,5R,6S)-5-benzoyloxy-1,6-dihydroxy-2-oxocyclohex-3-en-1-yl]methyl benzoate | CAS Registry Number: 193410-84-3
Synonyms: ((1S,5R,6S)-5-(Benzoyloxy)-1,6-dihydroxy-2-oxocyclohex-3-en-1-yl)methyl benzoate, AKOS016010697, AK120362, KB-204924
Molecular Formula: | C21H18O7 | Molecular Weight: | 382.363420 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 7 |
InChIKey: UUNZIGRBVXAOSR-PLMTUMEDSA-N
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IUPAC Name: 4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide | CAS Registry Number: 1408077-04-2
Synonyms: JNK-IN-2, CHEMBL3393606, SCHEMBL14979773, BDBM86627, CHEBI:95056, EX-A3511, BRD-K61860715-001-01-2, 4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
Molecular Formula: | C28H27N7O2 | Molecular Weight: | 493.600 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 7 |
InChIKey: VZEONOGFXYTZGT-WEVVVXLNSA-N
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IUPAC Name: (4S,8S,10S)-16-acetyl-2,12-dihydroxy-10-methyl-5,9-dioxapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1,3(11),12,15(20),16,18-hexaene-6,14,21-trione | CAS Registry Number: 63972-29-2
Molecular Formula: | C22H16O8 | Molecular Weight: | 408.400 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 8 |
InChIKey: YEONXFAQBQWNKI-RABNMDKDSA-N
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IUPAC Name: 3-(4-methylpiperazin-1-yl)-N-[(3-nitrophenyl)methyl]-7-(trifluoromethyl)quinolin-5-amine | CAS Registry Number: 1268264-10-3
Synonyms: CHEMBL1766528, 3-(4-Methylpiperazin-1-Yl)-N-(3-Nitrobenzyl)-7-(Trifluoromethyl)quinolin-5-Amine, SOMG-833, BDBM50341627, 3-(4-Methylpiperazin-1-yl)-5-(3-nitrobenzylamino)-7-(trifluoromethyl)quinoline, 0J3
Molecular Formula: | C22H22F3N5O2 | Molecular Weight: | 445.400 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 9 |
InChIKey: JIYPGFPFAVEPFX-UHFFFAOYSA-N
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IUPAC Name: N-(6-dimethylphosphoryl-7-methoxyquinolin-4-yl)-1,3-benzothiazol-5-amine | CAS Registry Number: 2772600-18-5
Synonyms: DA-59280, HY-155782, CS-0886833
Molecular Formula: | C19H18N3O2PS | Molecular Weight: | 383.400 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 6 |
InChIKey: SCBFIYRRWCWQAT-UHFFFAOYSA-N
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Synonyms: Zhebeinine, C17881
Molecular Formula: | C27H45NO3 | Molecular Weight: | 431.651100 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 4 |
InChIKey: IUKLSMSEHKDIIP-SWOAVMBCSA-N
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IUPAC Name: 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3R,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium;[(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2R,3S,4S)-5-[[(2S,3R)-1-[2-[4-[4-[4-(diaminomethylideneamino)butylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate | CAS Registry Number: 77108-50-0
Synonyms: Zhangguangmycin, Zhengguangmycin, Zhengguangmycins, Zhengguangmycin B2
Molecular Formula: | C110H168N37O42S5+ | Molecular Weight: | 2841.058620 [g/mol] | H-Bond Donor: | 42 | H-Bond Acceptor: | 63 |
InChIKey: UUKJIOXOQZYIGO-WRCQAQCRSA-O
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IUPAC Name: 3-(4-hydroxy-3,5-dimethoxyphenyl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-6-one | CAS Registry Number: 151636-98-5
Synonyms: ACMC-20dhky, AC1NST15, 1H,3H-Furo[3,4-c]furan-1-one,tetrahydro-4-(4-hydroxy-3,5-dimethoxyphenyl)-, (3aR,4S,6aR)-rel-, 3-(4-hydroxy-3,5-dimethoxyphenyl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-6-one
Molecular Formula: | C14H16O6 | Molecular Weight: | 280.273240 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 6 |
InChIKey: AUXYOVQIZNPKSO-UHFFFAOYSA-N
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Synonyms: Prialt, Ziconotide, Ziconotide [USAN], omega-conotoxin MVIIA, omega-Conotoxin M VIIA, omega-Conopeptide MVIIA (Conus), SNX 111, SNX-111, C8H6, omega-Conotoxin mviia, conus magus, DRG-0250, UNII-7I64C51O16, HSDB 7609, NCGC00181313-01, LS-172052, omega-Conotoxin M VIIA (reduced), cyclic (1-16),(8-20),(15-25)-tris(disulfide), 148979-96-8, 148979-97-9, 150770-63-1, L-Cysteinyl-L-lysylglycyl-L-lysylglycyl-L-alanyl-L-lysyl-L-cysteinyl-L-seryl-L-arginyl-L-leucyl-L-methionyl-L-tyrosyl-L-alpha-aspartyl-L-cysteinyl-L-cysteinyl-L-threonylglycyl-L-seryl-L-cysteinyl-L-arginyl-L-serylglycyl-L-lysyl-L-cysteinamide cyclic (1-16),(8-20),(15-25)-tris(disulfide)
Molecular Formula: | C102H172N36O32S7 | Molecular Weight: | 2639.134080 [g/mol] | H-Bond Donor: | 42 | H-Bond Acceptor: | 43 |
InChIKey: BPKIMPVREBSLAJ-UHFFFAOYSA-N
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(7 suppliers)
Synonyms: Prialt Acetate, |O-Conopeptide MVIIA Acetate, |O-Conotoxin M VIIA Acetate
Molecular Formula: | C99H174N34O32S5 | Molecular Weight: | 2512.974460 [g/mol] | H-Bond Donor: | 45 | H-Bond Acceptor: | 51 |
InChIKey: WNGOUDAVOVYOAS-YYNFDCHVSA-N
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