小分子和化合物库
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Orteronel,抑制剂CAS号 : 566939-85-3 Compound CID : 9796590分子式: C18H17N3O2 分子量: 307.35IUPAC Name: 6-[(7S)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamideSMILES: CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)OInChIKey: OZPFIJIOIVJZMN-SFHVURJKSA-NInChI: InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1
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TAK-700 (Orteronel),抑制剂CAS号 : 426219-18-3 Compound CID : 9883029分子式: C18H17N3O2 分子量: 307.35IUPAC Name: 6-(7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl)-N-methylnaphthalene-2-carboxamideSMILES: CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)OInChIKey: OZPFIJIOIVJZMN-UHFFFAOYSA-NInChI: InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)
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16,17-alpha环氧孕烯醇酮CAS号 : 974-23-2分子式: C21H30O3 分子量: 330.46IUPAC Name: 1-[(1R,2S,4R,6S,7S,10S,11R,14S)-14-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-6-yl]ethanoneSMILES: CC(=O)C12C(O1)CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)CInChIKey: UQVIXFCYKBWZPJ-XXHSLLPRSA-NInChI: InChI=1S/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21+/m0/s1
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16,17-环氧黄体酮CAS号 : 1097-51-4分子式: C21H28O3 分子量: 328.45IUPAC Name: (1R,2S,4R,6S,7S,10S,11R)-6-acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-14-oneSMILES: CC(=O)C12C(O1)CC3C2(CCC4C3CCC5=CC(=O)CCC45C)CInChIKey: LHNVKVKZPHUYQO-SRWWVFQWSA-NInChI: InChI=1S/C21H28O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1
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西维来司钠CAS号 : 150374-95-1 Compound CID : 23664980分子式: C20H21N2NaO7S 分子量: 456.44IUPAC Name: sodium;2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetateSMILES: CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)[O-].[Na+]InChIKey: ZAIFANJZUGNYCK-UHFFFAOYSA-MInChI: InChI=1S/C20H22N2O7S.Na/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24;/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24);/q;+1/p-1
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GW311616盐酸盐CAS号 : 197890-44-1 Compound CID : 9889108分子式: C19H31N3O4S・HCl 分子量: 434IUPAC Name: (3aR,6S,6aS)-4-methylsulfonyl-1-[(E)-4-piperidin-1-ylbut-2-enoyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;hydrochlorideSMILES: CC(C)C1C2C(CCN2C(=O)C=CCN3CCCCC3)N(C1=O)S(=O)(=O)C.ClInChIKey: UFCZUKYPBPXODT-OFTZGUNKSA-NInChI: InChI=1S/C19H31N3O4S.ClH/c1-14(2)17-18-15(22(19(17)24)27(3,25)26)9-13-21(18)16(23)8-7-12-20-10-5-4-6-11-20;/h7-8,14-15,17-18H,4-6,9-13H2,1-3H3;1H/b8-7+;/t15-,17+,18-;/m1./s1
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1-[2-(24-二氯苯基)-2-[(24-二氯苯基)甲氧基]乙基]-1H-咪唑CAS号 : 22916-47-8(DMSO)分子式: C18H14Cl4N2O 分子量: 416.13SMILES: ClC1=CC=C(COC(C[N]2C=CN=C2)C3=C(Cl)C=C(Cl)C=C3)C(=C1)Cl
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GaleteroneCAS号 : 851983-85-2(DMSO)分子式: C26H32N2O 分子量: 388.55SMILES: CC12CCC(O)CC1=CCC3C2CCC4(C)C3CC=C4[N]5C=NC6=C5C=CC=C6
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TAK-700 (Orteronel)CAS号 : 426219-18-3(DMSO)分子式: C18H17N3O2 分子量: 307.35SMILES: CNC(=O)C1=CC=C2C=C(C=CC2=C1)C3(O)CC[N]4C=NC=C34
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克霉唑CAS号 : 23593-75-1(DMSO)分子式: C22H17ClN2 分子量: 344.84SMILES: ClC1=C(C=CC=C1)C([N]2C=CN=C2)(C3=CC=CC=C3)C4=CC=CC=C4
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噻康唑CAS号 : 65899-73-2(DMSO)分子式: C16H13Cl3N2OS 分子量: 387.71SMILES: ClC1=CC=C(C(C[N]2C=CN=C2)OCC3=C(Cl)SC=C3)C(=C1)Cl
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