小分子和化合物库
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芹菜素分子式: C15H10O5 分子量: 270.24IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneSMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-NInChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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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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骆驼蓬灵分子式: C13H14N2O 分子量: 214.27IUPAC Name: 7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indoleSMILES: CC1=NCCC2=C1NC3=C2C=CC(=C3)OCInChIKey: RERZNCLIYCABFS-UHFFFAOYSA-NInChI: InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3
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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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6A,6B,6C,6D,6E,6F,6G-庚基-O-(2-羟丙基)-β-环糊精CAS号 : 107745-73-3 Compound CID : 14049689分子式: C63H112O42 分子量: 1541.54IUPAC Name: (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(2-hydroxypropoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecolSMILES: CC(COCC1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)O)O)OInChIKey: ODLHGICHYURWBS-LKONHMLTSA-NInChI: InChI=1S/C63H112O42/c1-22(64)8-85-15-29-50-36(71)43(78)57(92-29)100-51-30(16-86-9-23(2)65)94-59(45(80)38(51)73)102-53-32(18-88-11-25(4)67)96-61(47(82)40(53)75)104-55-34(20-90-13-27(6)69)98-63(49(84)42(55)77)105-56-35(21-91-14-28(7)70)97-62(48(83)41(56)76)103-54-33(19-89-12-26(5)68)95-60(46(81)39(54)74)101-52-31(17-87-10-24(3)66)93-58(99-50)44(79)37(52)72/h22-84H,8-21H2,1-7H3/t22?,23?,24?,25?,26?,27?,28?,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m1/s1
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托洛沙酮CAS号 : 29218-27-7 Compound CID : 34521分子式: C11H13NO3 分子量: 207.23IUPAC Name: 5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-oneSMILES: CC1=CC(=CC=C1)N2CC(OC2=O)COInChIKey: MXUNKHLAEDCYJL-UHFFFAOYSA-NInChI: InChI=1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3
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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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Linezolid (PNU-100766)CAS号 : 165800-03-3(DMSO)分子式: C16H20FN3O4 分子量: 337.35SMILES: CC(=O)NCC1CN(C(=O)O1)C2=CC=C(N3CCOCC3)C(=C2)F
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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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