小分子和化合物库
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(R)-DPN,DPN的对映异构体CAS号 : 524047-78-7分子式: C15H13NO2 分子量: 239.27IUPAC Name: (2R)-2,3-bis(4-hydroxyphenyl)propanenitrileSMILES: C1=CC(=CC=C1CC(C#N)C2=CC=C(C=C2)O)OInChIKey: GHZHWDWADLAOIQ-ZDUSSCGKSA-NInChI: InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2/t13-/m0/s1
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FERb 033,ERβ激动剂CAS号 : 1111084-78-6 Compound CID : 135931707分子式: C13H9ClFNO3 分子量: 281.67IUPAC Name: 2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-hydroxyiminomethyl]phenolSMILES: C1=CC(=C(C=C1C2=C(C(=C(C=C2)C=NO)O)Cl)F)OInChIKey: LRRMQNGSYOUANY-OMCISZLKSA-NInChI: InChI=1S/C13H9ClFNO3/c14-12-9(3-1-8(6-16-19)13(12)18)7-2-4-11(17)10(15)5-7/h1-6,17-19H/b16-6+
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2,3-双(4-羟苯基)丙腈分子式: C15H13NO2 分子量: 239.27IUPAC Name: 2,3-bis(4-hydroxyphenyl)propanenitrileSMILES: C1=CC(=CC=C1CC(C#N)C2=CC=C(C=C2)O)OInChIKey: GHZHWDWADLAOIQ-UHFFFAOYSA-NInChI: InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2
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Y 134,雌激素受体调节剂(SERM)CAS号 : 849662-80-2 Compound CID : 11784736分子式: C28H28N2O3S 分子量: 472.6IUPAC Name: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanoneSMILES: CC(C)N1CCN(CC1)C2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)OInChIKey: LQEOPHGPHCWOAC-UHFFFAOYSA-NInChI: InChI=1S/C28H28N2O3S/c1-18(2)29-13-15-30(16-14-29)21-7-3-19(4-8-21)27(33)26-24-12-11-23(32)17-25(24)34-28(26)20-5-9-22(31)10-6-20/h3-12,17-18,31-32H,13-16H2,1-2H3
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CHDI 00390576,IIa类HDAC抑制剂CAS号 : 1629729-98-1 Compound CID : 81689842分子式: C19H13F4N3O2 分子量: 391.32IUPAC Name: 2-(2-fluorophenyl)-N-hydroxy-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]phenyl]acetamideSMILES: C1=CC=C(C(=C1)C(C2=CC=C(C=C2)C3=NC=C(C=N3)C(F)(F)F)C(=O)NO)FInChIKey: LMGDHGQJJLEAPQ-UHFFFAOYSA-NInChI: InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)
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(R,R)-THC,亚型配体CAS号 : 138090-06-9 Compound CID : 446849分子式: C22H24O2 分子量: 320.42IUPAC Name: (5R,11R)-5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diolSMILES: CCC1CC2=C(C=CC(=C2)O)C3=C1C4=C(CC3CC)C=C(C=C4)OInChIKey: MASYAWHPJCQLSW-ZIAGYGMSSA-NInChI: InChI=1S/C22H24O2/c1-3-13-9-15-11-17(23)6-8-20(15)22-14(4-2)10-16-12-18(24)5-7-19(16)21(13)22/h5-8,11-14,23-24H,3-4,9-10H2,1-2H3/t13-,14-/m1/s1
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贝利司他CAS号 : 866323-14-0 Compound CID : 6918638分子式: C15H14N2O4S 分子量: 318.35IUPAC Name: (E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamideSMILES: C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C=CC(=O)NOInChIKey: NCNRHFGMJRPRSK-MDZDMXLPSA-NInChI: InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+
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