化学生物学
选项
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JNJ39758979,组胺H4受体拮抗剂CAS号 : 1046447-90-8 Compound CID : 24994634分子式: C11H19N5 分子量: 221.30IUPAC Name: 4-[(3R)-3-aminopyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amineSMILES: CC(C)C1=CC(=NC(=N1)N)N2CCC(C2)NInChIKey: COOGVHJHSCBOQT-MRVPVSSYSA-NInChI: InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
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DDR1 抑制剂 7rhCAS号 : 1429617-90-2 Compound CID : 71550931分子式: C30H29F3N6O 分子量: 546.59IUPAC Name: 4-ethyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-(2-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamideSMILES: CCC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)CN3CCN(CC3)C)C#CC4=CN5C(=CC=N5)N=C4InChIKey: DDLPXZXBWGJRGK-UHFFFAOYSA-NInChI: InChI=1S/C30H29F3N6O/c1-3-23-6-7-25(16-24(23)5-4-21-18-34-28-8-9-35-39(28)20-21)29(40)36-27-15-22(14-26(17-27)30(31,32)33)19-38-12-10-37(2)11-13-38/h6-9,14-18,20H,3,10-13,19H2,1-2H3,(H,36,40)
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2-(2-氯吡啶-4-基)-1,5,6,7-四氢-4H-吡咯并[3,2-c]吡啶-4-酮CAS号 : 724726-05-0 Compound CID : 16720432分子式: C12H10ClN3O 分子量: 247.68IUPAC Name: 2-(2-chloropyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-oneSMILES: C1CNC(=O)C2=C1NC(=C2)C3=CC(=NC=C3)ClInChIKey: JTRXEPCDEVNYPE-UHFFFAOYSA-NInChI: InChI=1S/C12H10ClN3O/c13-11-5-7(1-3-14-11)10-6-8-9(16-10)2-4-15-12(8)17/h1,3,5-6,16H,2,4H2,(H,15,17)