小分子和化合物库
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CTS-1027,MMP 抑制剂CAS号 : 193022-04-7 Compound CID : 3342298分子式: C19H20ClNO6S 分子量: 425.88IUPAC Name: 4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]-N-hydroxyoxane-4-carboxamideSMILES: C1COCCC1(CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)C(=O)NOInChIKey: ROSNVSQTEGHUKU-UHFFFAOYSA-NInChI: InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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NNGH,广谱MMP抑制剂CAS号 : 161314-17-6 Compound CID : 448002分子式: C13H20N2O5S 分子量: 316.37IUPAC Name: N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]acetamideSMILES: CC(C)CN(CC(=O)NO)S(=O)(=O)C1=CC=C(C=C1)OCInChIKey: JIRXORZYIXSWOB-UHFFFAOYSA-NInChI: InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
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Ilomastat (GM6001, Galardin)CAS号 : 142880-36-2(DMSO)分子式: C20H28N4O4 分子量: 388.46SMILES: CNC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(CC(C)C)CC(=O)NO
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SB-3CTCAS号 : 292605-14-2(DMSO)分子式: C15H14O3S2 分子量: 306.4SMILES: O=[S](=O)(CC1CS1)C2=CC=C(OC3=CC=CC=C3)C=C2
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BatimastatCAS号 : 130370-60-4 Compound CID : 5362422分子式: C23H31N3O4S2 分子量: 477.64IUPAC Name: (2S,3R)-N-hydroxy-N'-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-(thiophen-2-ylsulfanylmethyl)butanediamideSMILES: CC(C)CC(C(CSC1=CC=CS1)C(=O)NO)C(=O)NC(CC2=CC=CC=C2)C(=O)NCInChIKey: XFILPEOLDIKJHX-QYZOEREBSA-NInChI: InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
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GI254023XCAS号 : 260264-93-5 Compound CID : 9952396分子式: C21H33N3O4 分子量: 391.5IUPAC Name: (2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-1-[formyl(hydroxy)amino]ethyl]-5-phenylpentanamideSMILES: CC(C(CCCC1=CC=CC=C1)C(=O)NC(C(=O)NC)C(C)(C)C)N(C=O)OInChIKey: GHVMTHKJUAOZJP-CGTJXYLNSA-NInChI: InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1
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8-(Piperazin-1-yl)naphthalen-2-olCAS号 : 189350-02-5 Compound CID : 44275750分子式: C14H16N2O 分子量: 228.29IUPAC Name: 8-piperazin-1-ylnaphthalen-2-olSMILES: C1CN(CCN1)C2=CC=CC3=C2C=C(C=C3)OInChIKey: JHFGCEGHEXXYGB-UHFFFAOYSA-NInChI: InChI=1S/C14H16N2O/c17-12-5-4-11-2-1-3-14(13(11)10-12)16-8-6-15-7-9-16/h1-5,10,15,17H,6-9H2
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沃替西汀CAS号 : 508233-74-7 Compound CID : 9966051分子式: C18H22N2S 分子量: 298.45IUPAC Name: 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazineSMILES: CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)CInChIKey: YQNWZWMKLDQSAC-UHFFFAOYSA-NInChI: InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
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巴马司他CAS号 : 130370-60-4 Compound CID : 5362422分子式: C23H31N3O4S2 分子量: 477.64IUPAC Name: (2S,3R)-N-hydroxy-N'-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-(thiophen-2-ylsulfanylmethyl)butanediamideSMILES: CC(C)CC(C(CSC1=CC=CS1)C(=O)NO)C(=O)NC(CC2=CC=CC=C2)C(=O)NCInChIKey: XFILPEOLDIKJHX-QYZOEREBSA-NInChI: InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
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氯氮平分子式: C18H19ClN4 分子量: 326.82IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepineSMILES: CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42InChIKey: QZUDBNBUXVUHMW-UHFFFAOYSA-NInChI: InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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凯他色林CAS号 : 74050-98-9 Compound CID : 3822分子式: C22H22FN3O3 分子量: 395.43IUPAC Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dioneSMILES: C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=OInChIKey: FPCCSQOGAWCVBH-UHFFFAOYSA-NInChI: InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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