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Glycochenodeoxycholic acid, ABCB11Cas Number: 640-79-9Formula: C26H43NO5 Molecular Weight: 449.62IUPAC Name: show moreSMILES: CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)CInChIKey: GHCZAUBVMUEKKP-GYPHWSFCSA-NInChI: show moreSynonyms: [(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]acetic acid | 451ZNJ667Y | ST 24:1;O3;G | DTXSID301020165 |...
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CryptotanshinoneCas Number: 35825-57-1Formula: C19H20O3 Molecular Weight: 296.36IUPAC Name: (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dioneSMILES: CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)CInChIKey: GVKKJJOMQCNPGB-JTQLQIEISA-NInChI: InChI=1S/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1Synonyms: BDBM57938 | Cryptotanshinon;Tanshinone c | MLS001049002 | NCGC00159505-02 | 1-Monolaurin;1-Lauroyl-rac-glycerol | EN3...
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Balsalazide Disodium Salt DihydrateCas Number: 150399-21-6 Compound CID: 135414247Formula: C17H13N3Na2O6·2H2O Molecular Weight: 437.32IUPAC Name: disodium;3-[[4-[(3-carboxy-4-oxidophenyl)diazenyl]benzoyl]amino]propanoate;dihydrateSMILES: C1=CC(=CC=C1C(=O)NCCC(=O)[O-])N=NC2=CC(=C(C=C2)[O-])C(=O)O.O.O.[Na+].[Na+]InChIKey: XDCNKOBSQURQOZ-UHFFFAOYSA-LInChI: show moreSynonyms: A809040 | Colazide (TN) | N-{4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine | SY016905 | ...
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L002Cas Number: 321695-57-2Formula: C15H15NO5S Molecular Weight: 321.35IUPAC Name: [(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-methoxybenzenesulfonateSMILES: CC1=CC(=NOS(=O)(=O)C2=CC=C(C=C2)OC)C=C(C1=O)CInChIKey: VEWFTYOFWIXCIO-UHFFFAOYSA-NInChI: InChI=1S/C15H15NO5S/c1-10-8-12(9-11(2)15(10)17)16-21-22(18,19)14-6-4-13(20-3)5-7-14/h4-9H,1-3H3Synonyms: 4-[O-[(4-Methoxyphenyl)sulfonyl]oxime]-2,6-dimethyl-2,5-cyclohexadiene-1,4-dione | 4-((((4-methoxyphenyl)sulfonyl)oxy...
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Sodium glycochenodeoxycholateCas Number: 16564-43-5 Compound CID: 23664011Formula: C26H42NNaO5 Molecular Weight: 471.61IUPAC Name: show moreSMILES: CC(CCC(=O)NCC(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na+]InChIKey: AAYACJGHNRIFCT-YRJJIGPTSA-MInChI: show moreSynonyms: Glycochenodeoxycholic acid sodium salt | Sodium glycochenodeoxycholate, >=97.0% (TLC) | NSC-681056 | Sodium glycylche...
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WP1066, Channel blocker of K v1.3;Inhibitor of signal transducer and activator of transcription 3Cas Number: 857064-38-1 Compound CID: 11210478Formula: C17H14BrN3O Molecular Weight: 356.22IUPAC Name: (E)-3-(6-bromopyridin-2-yl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamideSMILES: CC(C1=CC=CC=C1)NC(=O)C(=CC2=NC(=CC=C2)Br)C#NInChIKey: VFUAJMPDXIRPKO-LQELWAHVSA-NInChI: InChI=1S/C17H14BrN3O/c1-12(13-6-3-2-4-7-13)20-17(22)14(11-19)10-15-8-5-9-16(18)21-15/h2-10,12H,1H3,(H,20,22)/b14-10+/t12-/m0/s1Synonyms: AKOS016007983 | AC-28413 | GTPL7972 | MFCD00445901 | 63V8AIE65T | BDBM50557738 | MLS006010178 | SCHEMBL1315831 | STK8...
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Pentadecanoic AcidCas Number: 1002-84-2 EC Number: 213-693-1Formula: C15H30O2 Molecular Weight: 242.4IUPAC Name: pentadecanoic acidSMILES: CCCCCCCCCCCCCCC(=O)OInChIKey: WQEPLUUGTLDZJY-UHFFFAOYSA-NInChI: InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)Synonyms: Pentadecanoic acid, >=99% | 9B1C70C0-EF6E-4FCF-A3D3-DACCDCCF791C | n-Pentadecanoicacid | P0035 | BRN 1773831 | C15:0 ...
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Peramivir Trihydrate, Neuraminidase inhibitorCas Number: 1041434-82-5Formula: C15H28N4O4·3H2O Molecular Weight: 382.45IUPAC Name: (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid;trihydrateSMILES: CCC(CC)C(C1C(CC(C1O)C(=O)O)N=C(N)N)NC(=O)C.O.O.OInChIKey: RFUCJKFZFXNIGB-ZBBHRWOZSA-NInChI: show moreSynonyms: PeramivirTrihydrate | Rapivab (TN) | BAICALEIN [USP-RS] | (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminom...
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Picroside ICas Number: 27409-30-9 Compound CID: 6440892Formula: C24H28O11 Molecular Weight: 492.47IUPAC Name: show moreSMILES: C1=CC=C(C=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3C4C(C=CO3)C(C5C4(O5)CO)O)O)O)OInChIKey: XZGPUOQGERGURE-LUVHZPKESA-NInChI: show moreSynonyms: AKOS015896740 | DTXSID101318188 | EINECS 248-445-1 | AS-56345 | Amphicoside I | [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-...
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AG-490 (Tyrphostin B42), Inhibitor of epidermal growth factor receptorCas Number: 133550-30-8Formula: C17H14N2O3 Molecular Weight: 294.3IUPAC Name: (E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamideSMILES: C1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#NInChIKey: TUCIOBMMDDOEMM-RIYZIHGNSA-NInChI: InChI=1S/C17H14N2O3/c18-10-14(8-13-6-7-15(20)16(21)9-13)17(22)19-11-12-4-2-1-3-5-12/h1-9,20-21H,11H2,(H,19,22)/b14-8+Synonyms: BS-15205 | C72336 | EX-A118 | NCGC00016014-03 | SR-01000076153-3 | (E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2...
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IminostilbeneCas Number: 256-96-2Formula: C14H11N Molecular Weight: 193.25IUPAC Name: 11H-benzo[b][1]benzazepineSMILES: C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2InChIKey: LCGTWRLJTMHIQZ-UHFFFAOYSA-NInChI: InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15HSynonyms: (Z)-5H-Dibenzo[b,f]azepine | Dibenz(b,f)azepine | W-107225 | s4973 | NCGC00246953-01 | Stilbene, 2,2'-imino- | 5H-dib...
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DiosgenineCas Number: 512-04-9 EC Number: 208-134-3Formula: C27H42O3 Molecular Weight: 414.62IUPAC Name: (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-olSMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1InChIKey: WQLVFSAGQJTQCK-VKROHFNGSA-NInChI: show moreSynonyms: (3beta,25R)-spirost-5-en-3-ol | AKOS015961083 | DIOSGENIN | (25R)-5-Spirosten-3A-ol | K49P2K8WLX | MFCD00016887 | DIO...
