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STAT
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ArtesunateCas Number: 88495-63-0Formula: C19H28O8 Molecular Weight: 384.42IUPAC Name: 4-oxo-4-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acidSMILES: CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)CInChIKey: FIHJKUPKCHIPAT-AHIGJZGOSA-NInChI: show moreSynonyms: 4-oxo-4-{[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0?,(1)(3).0?,(1)(3)]hexa...
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FlubendazoleCas Number: 31430-15-6 EC Number: 250-624-4Formula: C16H12FN3O3 Molecular Weight: 313.28IUPAC Name: methyl N-[6-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamateSMILES: COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=C(C=C3)FInChIKey: CPEUVMUXAHMANV-UHFFFAOYSA-NInChI: InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)Synonyms: AB00639981-06 | DB08974 | FLUBENDAZOLE [USAN] | HMS2090I16 | MLS006010905 | DTXSID8023058 | Flubendazol [INN-Spanish]...
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Fludarabine, Inhibitor of ribonucleotide reductase catalytic subunit M1;Inhibitor of ribonucleotide reductase regulatory subunit M2Cas Number: 21679-14-1 EC Number: 244-525-5Formula: C10H12FN5O4 Molecular Weight: 285.23IUPAC Name: (2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolSMILES: C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)F)NInChIKey: HBUBKKRHXORPQB-FJFJXFQQSA-NInChI: InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1Synonyms: (2R,3S,4S,5R)-2-(6-azanyl-2-fluoranyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | 9-?-D-Arabinofuranosyl-2-fluoro...
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ASP3026, ALK tyrosine kinase receptor inhibitorCas Number: 1097917-15-1Formula: C29H40N8O3S Molecular Weight: 580.74IUPAC Name: 2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamineSMILES: CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=N2)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OCInChIKey: MGGBYMDAPCCKCT-UHFFFAOYSA-NInChI: show moreSynonyms: F6O | SMR004702945 | UNII-HP4L6MXF10 | XTB91715 | NCGC00345791-01 | N2-(2-(isopropylsulfonyl)phenyl)-N4-(2-methoxy-4-...
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Atractylenolide IICas Number: 73069-14-4Formula: C15H20O2 Molecular Weight: 232.32IUPAC Name: (4aS,8aR,9aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-oneSMILES: CC1=C2CC3C(=C)CCCC3(CC2OC1=O)CInChIKey: OQYBLUDOOFOBPO-KCQAQPDRSA-NInChI: InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h12-13H,1,4-8H2,2-3H3/t12-,13-,15+/m0/s1Synonyms: Asterolide | HY-N0202 | MFCD09037396 | BDBM50241946 | CHEBI:182501 | Atractylenolide II | AS-76824 | C17886 | Q633984...
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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...
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Perindopril, Inhibitor of Angiotensin-converting enzymeCas Number: 82834-16-0 Compound CID: 107807Formula: C19H32N2O5 Molecular Weight: 368.47IUPAC Name: (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acidSMILES: CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)OInChIKey: IPVQLZZIHOAWMC-QXKUPLGCSA-NInChI: show moreSynonyms: MFCD00055081 | Tox21_113087 | DB03260 | BSPBio_003206 | ethyl N-((2S)-1-((2S,3aS,7aS)-2-carboxyoctahydro-1H-indol-1-y...
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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...
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BML-260Cas Number: 101439-76-3Formula: C17H11NO3S2 Molecular Weight: 341.4IUPAC Name: 4-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acidSMILES: C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)OInChIKey: HJGHAHOKZBWVGK-UHFFFAOYSA-NInChI: InChI=1S/C17H11NO3S2/c19-15-14(10-11-4-2-1-3-5-11)23-17(22)18(15)13-8-6-12(7-9-13)16(20)21/h1-10H,(H,20,21)Synonyms: SCHEMBL6789390 | 4-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid | 4-(5-Phenylmethylene-4-ox...
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S3I-201Cas Number: 501919-59-1 Compound CID: 252682Formula: C16H15NO7S Molecular Weight: 365.36IUPAC Name: 2-hydroxy-4-[[2-(4-methylphenyl)sulfonyloxyacetyl]amino]benzoic acidSMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)NC2=CC(=C(C=C2)C(=O)O)OInChIKey: HWNUSGNZBAISFM-UHFFFAOYSA-NInChI: InChI=1S/C16H15NO7S/c1-10-2-5-12(6-3-10)25(22,23)24-9-15(19)17-11-4-7-13(16(20)21)14(18)8-11/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)Synonyms: NSC 74859 | AKOS016366328 | Q-103549 | SCHEMBL4456216 | 2-Hydroxy-4-(((4-methylphenyl)sulfonyloxy)acetyl)amino)-benzo...
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STA-21 (Ochromycinone)Cas Number: 28882-53-3Formula: C19H14O4 Molecular Weight: 306.31IUPAC Name: (3S)-8-hydroxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trioneSMILES: CC1CC2=C(C(=O)C1)C3=C(C=C2)C(=O)C4=C(C3=O)C=CC=C4OInChIKey: ZAWXOCUFQSQDJS-VIFPVBQESA-NInChI: InChI=1S/C19H14O4/c1-9-7-10-5-6-12-17(15(10)14(21)8-9)19(23)11-3-2-4-13(20)16(11)18(12)22/h2-6,9,20H,7-8H2,1H3/t9-/m0/s1Synonyms: AKOS030254378 | J-017311 | C90290 | CKZ6P7I25M | MEGxm0_000296 | HY-121482 | Benz[a]anthracene-1,7,12(2H)-trione, 3,4...
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Glycodeoxycholic acid monohydrateCas Number: 360-65-6Formula: C26H43NO5(anhy) Molecular Weight: 449.62(anhy)IUPAC Name: show moreSMILES: CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)CInChIKey: WVULKSPCQVQLCU-BUXLTGKBSA-NInChI: show moreSynonyms: GLYCODEOXYCHOLIC_ACID | F20550 | N-((3-alpha,5-beta,12-alpha)-3,12-Dihydroxy-24-oxocholan-24-yl)-glycine | Spectrum5_...
