小分子和化合物库
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西咪替丁CAS号 : 51481-61-9 Compound CID : 2756分子式: C10H16N6S 分子量: 252.34IUPAC Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidineSMILES: CC1=C(N=CN1)CSCCNC(=NC)NC#NInChIKey: AQIXAKUUQRKLND-UHFFFAOYSA-NInChI: InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
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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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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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JNJ 0966,Pro-MMP9激活抑制剂CAS号 : 315705-75-0 Compound CID : 1117189分子式: C16H16N4O2S2 分子量: 360.45IUPAC Name: N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamideSMILES: CC1=C(SC(=N1)NC(=O)C)C2=CSC(=N2)NC3=CC=CC=C3OCInChIKey: ZADCDCMLLGDCRM-UHFFFAOYSA-NInChI: InChI=1S/C16H16N4O2S2/c1-9-14(24-16(17-9)18-10(2)21)12-8-23-15(20-12)19-11-6-4-5-7-13(11)22-3/h4-8H,1-3H3,(H,19,20)(H,17,18,21)
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MMP-2 / MMP-9抑制剂IICAS号 : 193807-60-2 Compound CID : 9822095分子式: C21H20N2O4S 分子量: 396.46IUPAC Name: (2R)-N-hydroxy-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanamideSMILES: C1=CC=C(C=C1)CC(C(=O)NO)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3InChIKey: UPCAIRKRFXQRRM-HXUWFJFHSA-NInChI: InChI=1S/C21H20N2O4S/c24-21(22-25)20(15-16-7-3-1-4-8-16)23-28(26,27)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20,23,25H,15H2,(H,22,24)/t20-/m1/s1
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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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MMP抑制剂IICAS号 : 203915-59-7 Compound CID : 4218分子式: C21H27N3O8S2 分子量: 513.6IUPAC Name: N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxamideSMILES: CC1(CN(C(N(C1)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)NO)S(=O)(=O)C3=CC=C(C=C3)OC)CInChIKey: MCSWSPNUKWMZHM-UHFFFAOYSA-NInChI: InChI=1S/C21H27N3O8S2/c1-21(2)13-23(33(27,28)17-9-5-15(31-3)6-10-17)20(19(25)22-26)24(14-21)34(29,30)18-11-7-16(32-4)8-12-18/h5-12,20,26H,13-14H2,1-4H3,(H,22,25)
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N-去甲基洛哌丁胺CAS号 : 66164-07-6 Compound CID : 9805944分子式: C28H31ClN2O2 分子量: 463.01IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-methyl-2,2-diphenylbutanamideSMILES: CNC(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4InChIKey: ZMOPTLXEYOVARP-UHFFFAOYSA-NInChI: InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)
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