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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烟曲霉素CAS号 : 23110-15-8 Compound CID : 6917655分子式: C26H34O7 分子量: 458.54IUPAC Name: (2E,4E,6E,8E)-10-[[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acidSMILES: CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)C=CC=CC=CC=CC(=O)O)OC)CInChIKey: NGGMYCMLYOUNGM-CSDLUJIJSA-NInChI: InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9+,12-10+/t19-,20-,23-,24-,25+,26+/m1/s1
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MMP-9抑制剂CAS号 : 1177749-58-4 Compound CID : 21310926分子式: C27H33N3O5S 分子量: 511.63IUPAC Name: 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-5-(diethylaminomethyl)-N-hydroxy-3-methylbenzamideSMILES: CCN(CC)CC1=CC(=C(C(=C1)C)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)NOInChIKey: WRNMBFWQBKEBIX-UHFFFAOYSA-NInChI: InChI=1S/C27H33N3O5S/c1-5-29(6-2)18-22-16-20(3)26(25(17-22)27(31)28-32)30(19-21-10-8-7-9-11-21)36(33,34)24-14-12-23(35-4)13-15-24/h7-17,32H,5-6,18-19H2,1-4H3,(H,28,31)
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PF 356231,非螯合MMP-12抑制剂CAS号 : 766536-21-4 Compound CID : 448942分子式: C25H20N2O3S 分子量: 428.5IUPAC Name: (3R)-3-phenyl-3-[[4-(4-pyridin-4-ylphenyl)thiophene-2-carbonyl]amino]propanoic acidSMILES: C1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=CS2)C3=CC=C(C=C3)C4=CC=NC=C4InChIKey: VMTJQZUZINLEKC-JOCHJYFZSA-NInChI: InChI=1S/C25H20N2O3S/c28-24(29)15-22(20-4-2-1-3-5-20)27-25(30)23-14-21(16-31-23)18-8-6-17(7-9-18)19-10-12-26-13-11-19/h1-14,16,22H,15H2,(H,27,30)(H,28,29)/t22-/m1/s1
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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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MMP-13抑制剂CAS号 : 544678-85-5 Compound CID : 5289110分子式: C22H20F2N4O2 分子量: 410.42IUPAC Name: 4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamideSMILES: CC1=C(C=CC(=C1)CNC(=O)C2=CC(=NC=N2)C(=O)NCC3=CC(=C(C=C3)F)C)FInChIKey: PYFRREJCFXFNRR-UHFFFAOYSA-NInChI: InChI=1S/C22H20F2N4O2/c1-13-7-15(3-5-17(13)23)10-25-21(29)19-9-20(28-12-27-19)22(30)26-11-16-4-6-18(24)14(2)8-16/h3-9,12H,10-11H2,1-2H3,(H,25,29)(H,26,30)
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MMP-9 / MMP-13抑制剂ICAS号 : 204140-01-2 Compound CID : 9983251分子式: C25H25N3O6S 分子量: 495.55IUPAC Name: N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenylbenzoyl)piperazine-2-carboxamideSMILES: COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4InChIKey: KXZZWRQJKQVMKR-UHFFFAOYSA-NInChI: InChI=1S/C25H25N3O6S/c1-34-21-11-13-22(14-12-21)35(32,33)28-16-15-27(17-23(28)24(29)26-31)25(30)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-14,23,31H,15-17H2,1H3,(H,26,29)
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TNP 470CAS号 : 129298-91-5 Compound CID : 369976分子式: C19H28CINO6 分子量: 401.88IUPAC Name: [(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-(2-chloroacetyl)carbamateSMILES: CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)NC(=O)CCl)OC)CInChIKey: MSHZHSPISPJWHW-PVDLLORBSA-NInChI: InChI=1S/C19H28ClNO6/c1-11(2)5-6-13-18(3,27-13)16-15(24-4)12(7-8-19(16)10-25-19)26-17(23)21-14(22)9-20/h5,12-13,15-16H,6-10H2,1-4H3,(H,21,22,23)/t12-,13-,15-,16-,18+,19+/m1/s1
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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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T-26cCAS号 : 869296-13-9 Compound CID : 11525848分子式: C24H21N3O6S 分子量: 479.51IUPAC Name: 4-[[2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl]methoxymethyl]benzoic acidSMILES: COC1=CC=CC(=C1)CNC(=O)C2=NC3=C(C(=CS3)COCC4=CC=C(C=C4)C(=O)O)C(=O)N2InChIKey: CDQRIIUMNLMHRH-UHFFFAOYSA-NInChI: InChI=1S/C24H21N3O6S/c1-32-18-4-2-3-15(9-18)10-25-22(29)20-26-21(28)19-17(13-34-23(19)27-20)12-33-11-14-5-7-16(8-6-14)24(30)31/h2-9,13H,10-12H2,1H3,(H,25,29)(H,30,31)(H,26,27,28)
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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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