MMP
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2-甲氧基-2,4-二苯基-3(2H)-呋喃酮CAS号 : 50632-57-0 Compound CID : 170874分子式: C17H14O3 分子量: 266.3IUPAC Name: 2-methoxy-2,4-diphenylfuran-3-oneSMILES: COC1(C(=O)C(=CO1)C2=CC=CC=C2)C3=CC=CC=C3InChIKey: BLWINLJDTOJSRU-UHFFFAOYSA-NInChI: InChI=1S/C17H14O3/c1-19-17(14-10-6-3-7-11-14)16(18)15(12-20-17)13-8-4-2-5-9-13/h2-12H,1H3
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三油酸甘油酯CAS号 : 122-32-7分子式: C57H104O6 分子量: 885.44IUPAC Name: 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (Z)-octadec-9-enoateSMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCCInChIKey: PHYFQTYBJUILEZ-IUPFWZBJSA-NInChI: InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-
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Aderbasib,抑制剂CAS号 : 791828-58-5 Compound CID : 16070111分子式: C21H28N4O5 分子量: 416.47IUPAC Name: methyl (6S,7S)-7-(hydroxycarbamoyl)-6-(4-phenylpiperazine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylateSMILES: COC(=O)N1CC2(CC2)CC(C1C(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)NOInChIKey: DJXMSZSZEIKLQZ-IRXDYDNUSA-NInChI: InChI=1S/C21H28N4O5/c1-30-20(28)25-14-21(7-8-21)13-16(18(26)22-29)17(25)19(27)24-11-9-23(10-12-24)15-5-3-2-4-6-15/h2-6,16-17,29H,7-14H2,1H3,(H,22,26)/t16-,17-/m0/s1
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3-氨基苯-1,2-二醇CAS号 : 20734-66-1 Compound CID : 189460分子式: C6H7NO2 分子量: 125.13IUPAC Name: 3-aminobenzene-1,2-diolSMILES: C1=CC(=C(C(=C1)O)O)NInChIKey: MGBKJKDRMRAZKC-UHFFFAOYSA-NInChI: InChI=1S/C6H7NO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H,7H2
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GI254023X,ADAM10金属蛋白酶抑制剂CAS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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CL-82198,MMP-13抑制剂CAS号 : 307002-71-7 Compound CID : 16760373分子式: C17H22N2O3 分子量: 302.37IUPAC Name: N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide;hydrochlorideSMILES: C1COCCN1CCCCNC(=O)C2=CC3=CC=CC=C3O2.ClInChIKey: PIOACXKZWXHBRB-UHFFFAOYSA-NInChI: InChI=1S/C17H22N2O3.ClH/c20-17(16-13-14-5-1-2-6-15(14)22-16)18-7-3-4-8-19-9-11-21-12-10-19;/h1-2,5-6,13H,3-4,7-12H2,(H,18,20);1H
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盐酸多西环素CAS号 : 10592-13-9 Compound CID : 54685920分子式: C22H24N2O8·HCl 分子量: 480.9IUPAC Name: (4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochlorideSMILES: CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.ClInChIKey: PTNZGHXUZDHMIQ-CVHRZJFOSA-NInChI: InChI=1S/C22H24N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31);1H/t7-,10+,14+,15-,17-,22-;/m0./s1
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强力霉素分子式: C22H24N2O8 分子量: 444.44IUPAC Name: (4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamideSMILES: CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)OInChIKey: SGKRLCUYIXIAHR-AKNGSSGZSA-NInChI: InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1
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硫酸茚地那韦CAS号 : 157810-81-6 Compound CID : 5462355分子式: C36H49N5O8S 分子量: 711.87IUPAC Name: (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide;sulfuric acidSMILES: CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CN=CC=C5.OS(=O)(=O)OInChIKey: NUBQKPWHXMGDLP-BDEHJDMKSA-NInChI: InChI=1S/C36H47N5O4.H2O4S/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43;1-5(2,3)4/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45);(H2,1,2,3,4)/t28-,29+,31+,32-,33+;/m1./s1