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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Imetit 二氢溴酸盐CAS号 : 32385-58-3 Compound CID : 11957573分子式: C6H10N4S.2HBr 分子量: 332.06IUPAC Name: 2-(1H-imidazol-5-yl)ethyl carbamimidothioate;dihydrobromideSMILES: C1=C(NC=N1)CCSC(=N)N.Br.BrInChIKey: DOBOYMKCRRLTRF-UHFFFAOYSA-NInChI: InChI=1S/C6H10N4S.2BrH/c7-6(8)11-2-1-5-3-9-4-10-5;;/h3-4H,1-2H2,(H3,7,8)(H,9,10);2*1H
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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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碘苯丙酮二氢溴化物CAS号 : 145196-87-8 Compound CID : 24978528分子式: C15H19IN4S•2HBr 分子量: 576.13IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-[2-(4-iodophenyl)ethyl]carbamimidothioate;dihydrobromideSMILES: C1=CC(=CC=C1CCN=C(N)SCCCC2=CN=CN2)I.Br.BrInChIKey: BOSOGNBLIWPCMS-UHFFFAOYSA-NInChI: InChI=1S/C15H19IN4S.2BrH/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14;;/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20);2*1H
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Impentamine dihydrobromide,H3拮抗剂CAS号 : 149629-70-9 Compound CID : 53439849分子式: C8H15N3•2HBr 分子量: 315.05IUPAC Name: 5-(1H-imidazol-5-yl)pentan-1-amine;dihydrobromideSMILES: C1=C(NC=N1)CCCCCN.Br.BrInChIKey: QSDXAAWBBPWGEL-UHFFFAOYSA-NInChI: InChI=1S/C8H15N3.2BrH/c9-5-3-1-2-4-8-6-10-7-11-8;;/h6-7H,1-5,9H2,(H,10,11);2*1H
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BF 2649 盐酸盐CAS号 : 903576-44-3 Compound CID : 11551689分子式: C17H26ClNO.HCl 分子量: 332.31IUPAC Name: 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;hydrochlorideSMILES: C1CCN(CC1)CCCOCCCC2=CC=C(C=C2)Cl.ClInChIKey: XLFKECRRMPOAQS-UHFFFAOYSA-NInChI: InChI=1S/C17H26ClNO.ClH/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19;/h7-10H,1-6,11-15H2;1H
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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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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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LML134CAS号 : 1542135-76-1 Compound CID : 72948400分子式: C19H29N5O3 分子量: 375.47IUPAC Name: [1-(1-methyl-6-oxopyridazin-3-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylateSMILES: CN1C(=O)C=CC(=N1)N2CCC(CC2)OC(=O)N3CCN(CC3)C4CCC4InChIKey: BVUJMFFRMZRNAT-UHFFFAOYSA-NInChI: InChI=1S/C19H29N5O3/c1-21-18(25)6-5-17(20-21)23-9-7-16(8-10-23)27-19(26)24-13-11-22(12-14-24)15-3-2-4-15/h5-6,15-16H,2-4,7-14H2,1H3
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