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淫羊藿素CAS号 : 118525-40-9 Compound CID : 5318980分子式: C21H20O6 分子量: 368.38IUPAC Name: 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-oneSMILES: CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)O)CInChIKey: TUUXBSASAQJECY-UHFFFAOYSA-NInChI: InChI=1S/C21H20O6/c1-11(2)4-9-14-15(22)10-16(23)17-18(24)19(25)20(27-21(14)17)12-5-7-13(26-3)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3
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大叶茜草素CAS号 : 55481-88-4 Compound CID : 124219分子式: C17H16O4 分子量: 284.31IUPAC Name: methyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylateSMILES: CC1(C=CC2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)CInChIKey: VLGATXOTCNBWIT-UHFFFAOYSA-NInChI: InChI=1S/C17H16O4/c1-17(2)9-8-12-13(16(19)20-3)14(18)10-6-4-5-7-11(10)15(12)21-17/h4-9,18H,1-3H3
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吡啶酮6CAS号 : 457081-03-7 Compound CID : 5494425分子式: C18H16FN3O 分子量: 309.34IUPAC Name: 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-oneSMILES: CC(C)(C)C1=NC2=C(N1)C3=C(C=C(C=C3)F)C4=C2C=CNC4=OInChIKey: VNDWQCSOSCCWIP-UHFFFAOYSA-NInChI: InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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PF 06551600 丙二酸CAS号 : 2140301-97-7 Compound CID : 124203830分子式: C18H23N5O5 分子量: 389.41IUPAC Name: 1-[(2S,5R)-2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]prop-2-en-1-one;propanedioic acidSMILES: CC1CCC(CN1C(=O)C=C)NC2=NC=NC3=C2C=CN3.C(C(=O)O)C(=O)OInChIKey: QMPMPSGDPRHZCG-VZXYPILPSA-NInChI: InChI=1S/C15H19N5O.C3H4O4/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15;4-2(5)1-3(6)7/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19);1H2,(H,4,5)(H,6,7)/t10-,11+;/m0./s1
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LFM-A13,BTK抑制剂CAS号 : 62004-35-7 Compound CID : 54686938分子式: C11H8Br2N2O2 分子量: 360IUPAC Name: 2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamideSMILES: CC(=C(C#N)C(=O)NC1=C(C=CC(=C1)Br)Br)OInChIKey: UVSVTDVJQAJIFG-UHFFFAOYSA-NInChI: InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,16H,1H3,(H,15,17)
