小分子和化合物库
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CP-91149CAS号: 186392-40-5分子式: C21H22ClN3O3 分子量: 399.87IUPAC Name: 5-chloro-N-[(2S,3R)-4-(dimethylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamideSMILES: CN(C)C(=O)C(C(CC1=CC=CC=C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)OInChIKey: HINJNZFCMLSBCI-PKOBYXMFSA-NInChI: 1S/C21H22ClN3O3/c1-25(2)21(28)19(26)17(10-13-6-4-3-5-7-13)24-20(27)18-12-14-11-15(22)8-9-16(14)23-18/h3-9,11-12,17,19,23,26H,10H2,1-2H3,(H,24,27)/t17-,19+/m0/s1
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苹果酸苏尼替尼CAS号: 341031-54-7分子式: C22H27FN4O2·C4H6O5 分子量: 532.56IUPAC Name: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-hydroxybutanedioic acidSMILES: CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C.C(C(C(=O)O)O)C(=O)OInChIKey: LBWFXVZLPYTWQI-IPOVEDGCSA-NInChI: See more
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ENMD-2076 L-(+)-酒石酸CAS号: 1291074-87-7 Compound CID : 66576993分子式: C25H31N7O6 分子量: 525.56IUPAC Name: (2S,3S)-2,3-dihydroxybutanedioic acid;6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amineSMILES: CC1=CC(=NN1)NC2=CC(=NC(=N2)C=CC3=CC=CC=C3)N4CCN(CC4)C.C(C(C(=O)O)O)(C(=O)O)OInChIKey: KGWWHPZQLVVAPT-PCWHHUEVSA-NInChI: See more
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2-氟-L-苯丙氨酸CAS号: 19883-78-4分子式: C9H10FNO2 分子量: 183.18IUPAC Name: (2S)-2-amino-3-(2-fluorophenyl)propanoic acidSMILES: C1=CC=C(C(=C1)CC(C(=O)O)N)FInChIKey: NYCRCTMDYITATC-QMMMGPOBSA-NInChI: 1S/C9H10FNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
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福辛普利钠CAS号: 88889-14-9 Compound CID : 23681451分子式: C30H45NO7P·Na 分子量: 585.64IUPAC Name: sodium;(2S,4S)-4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxypropoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylateSMILES: CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC(CC2C(=O)[O-])C3CCCCC3.[Na+]InChIKey: TVTJZMHAIQQZTL-HREVRLCXSA-MInChI: See more
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盐酸夫拉平度CAS号: 131740-09-5分子式: C21H20ClNO5.HCl 分子量: 438.3IUPAC Name: 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one;hydrochlorideSMILES: CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O.ClInChIKey: LGMSNQNWOCSPIK-LWHGMNCYSA-NInChI: 1S/C21H20ClNO5.ClH/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22;/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3;1H/t12-,17+;/m0./s1
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福多司坦CAS号: 13189-98-5分子式: C6H13NO3S 分子量: 179.24IUPAC Name: (2R)-2-amino-3-(3-hydroxypropylsulfanyl)propanoic acidSMILES: C(CO)CSCC(C(=O)O)NInChIKey: KINWYTAUPKOPCQ-YFKPBYRVSA-NInChI: 1S/C6H13NO3S/c7-5(6(9)10)4-11-3-1-2-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m0/s1
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福沙吡坦二甲葡胺CAS号: 265121-04-8 Compound CID : 135564864分子式: C23H22F7N4O6P·2C7H17NO5 分子量: 1004.83IUPAC Name: [3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-4H-1,2,4-triazol-1-yl]phosphonic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentolSMILES: CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NN(C(=O)N3)P(=O)(O)O)C4=CC=C(C=C4)F.CNCC(C(C(C(CO)O)O)O)O.CNCC(C(C(C(CO)O)O)O)OInChIKey: VRQHBYGYXDWZDL-OOZCZQCLSA-NInChI: See more
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富马酸福莫特罗CAS号: 43229-80-7 Compound CID : 9832292分子式: C19H24N2O4·1/2C4H4O4 分子量: 402.4IUPAC Name: (E)-but-2-enedioic acid;N-[2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamideSMILES: CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O.CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O.C(=CC(=O)O)C(=O)OInChIKey: OBRNDARFFFHCGE-PERKLWIXSA-NInChI: See more
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盐酸氟桂利嗪分子式: C26H26F2N2·2HCl 分子量: 477.42IUPAC Name: 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochlorideSMILES: C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl.ClInChIKey: RXKMOPXNWTYEHI-RDRKJGRWSA-NInChI: 1S/C26H26F2N2.2ClH/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21;;/h1-15,26H,16-20H2;2*1H/b7-4+;;
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