小分子和化合物库
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SC-560,COX-1抑制剂CAS号 : 188817-13-2 Compound CID : 4306515分子式: C17H12ON2ClF3 分子量: 352.74IUPAC Name: 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazoleSMILES: COC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)ClInChIKey: PQUGCKBLVKJMNT-UHFFFAOYSA-NInChI: InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
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利克飞龙CAS号 : 156897-06-2 Compound CID : 133021分子式: C23H22ClNO2 分子量: 379.88IUPAC Name: 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acidSMILES: CC1(CC2=C(C(=C(N2C1)CC(=O)O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)CInChIKey: UAWXGRJVZSAUSZ-UHFFFAOYSA-NInChI: InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
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莫非佐酸CAS号 : 78967-07-4 Compound CID : 4237分子式: C19H17NO5 分子量: 339.35IUPAC Name: 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acidSMILES: COC1=CC=C(C=C1)C2=C(ON=C2C3=CC=C(C=C3)OC)CC(=O)OInChIKey: DJEIHHYCDCTAAH-UHFFFAOYSA-NInChI: InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)
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BM 567CAS号 : 284464-77-3分子式: C18H28N4O5S 分子量: 412.5IUPAC Name: 1-[2-(cyclohexylamino)-5-nitrophenyl]sulfonyl-3-pentylureaSMILES: CCCCCNC(=O)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2CCCCC2InChIKey: WNIPBGJWMANRGA-UHFFFAOYSA-NInChI: InChI=1S/C18H28N4O5S/c1-2-3-7-12-19-18(23)21-28(26,27)17-13-15(22(24)25)10-11-16(17)20-14-8-5-4-6-9-14/h10-11,13-14,20H,2-9,12H2,1H3,(H2,19,21,23)
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TFAPCAS号 : 1011244-68-0 Compound CID : 24752865分子式: C13H10F3N3O 分子量: 281.23IUPAC Name: N-(5-aminopyridin-2-yl)-4-(trifluoromethyl)benzamideSMILES: C1=CC(=CC=C1C(=O)NC2=NC=C(C=C2)N)C(F)(F)FInChIKey: BTCFFMPDIBWZLF-UHFFFAOYSA-NInChI: InChI=1S/C13H10F3N3O/c14-13(15,16)9-3-1-8(2-4-9)12(20)19-11-6-5-10(17)7-18-11/h1-7H,17H2,(H,18,19,20)
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16,16-二甲基前列腺素F2αCAS号 : 39746-23-1 Compound CID : 6441607分子式: C22H38O5 分子量: 382.5IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]hept-5-enoic acidSMILES: CCCCC(C)(C)C(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)OInChIKey: YMRWVEHSLXJOCD-SCOYTADVSA-NInChI: InChI=1S/C22H38O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-20,23-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,18+,19-,20-/m1/s1
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2-(2-氨基-3-甲氧苯基)色酮CAS号 : 167869-21-8(DMSO)分子式: C16H13NO3 分子量: 267.28SMILES: COC1=C(N)C(=CC=C1)C2=CC(=O)C3=CC=CC=C3O2
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