4-(4-([2-(4-CHLOROPHENYL)-4,4-DIMETHYLCYCLOHEX-1-EN-1-YL]METHYL)PIPERAZIN-1-YL)-N-((3-NITRO-4-[(TETRAHYDRO-2H-PYRAN-4-YLMETHYL)AMINO]PHENYL)SULFONYL)-2-(1H-PYRROLO[2,3-B]PYRIDIN-5-YLOXY)BENZAMIDE ,1257044-40-8

4-(4-([2-(4-CHLOROPHENYL)-4,4-DIMETHYLCYCLOHEX-1-EN-1-YL]METHYL)PIPERAZIN-1-YL)-N-((3-NITRO-4-[(TETRAHYDRO-2H-PYRAN-4-YLMETHYL)AMINO]PHENYL)SULFONYL)-2-(1H-PYRROLO[2,3-B]PYRIDIN-5-YLOXY)BENZAMIDE

基本信息
产品名称：	4-(4-([2-(4-CHLOROPHENYL)-4,4-DIMETHYLCYCLOHEX-1-EN-1-YL]METHYL)PIPERAZIN-1-YL)-N-((3-NITRO-4-[(TETRAHYDRO-2H-PYRAN-4-YLMETHYL)AMINO]PHENYL)SULFONYL)-2-(1H-PYRROLO[2,3-B]PYRIDIN-5-YLOXY)BENZAMIDE
CAS：	1257044-40-8
英文同义词：	ABT-199 ; ABT-199 (GDC-0199) ; 4-(4-([2-(4-CHLOROPHENYL)-4,4-DIMETHYLCYCLOHEX-1-EN-1-YL]METHYL)PIPERAZIN-1-YL)-N-((3-NITRO-4-[(TETRAHYDRO-2H-PYRAN-4-YLMETHYL)AMINO]PHENYL)SULFONYL)-2-(1H-PYRROLO[2,3-B]PYRIDIN-5-YLOXY)BENZAMIDE
MDL号：	MFCD23160052
氢键受体数量：	14
氢键供体数量：	3
Smile：	CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C
InChi：	InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
InChiKey：	InChIKey=LQBVNQSMGBZMKD-UHFFFAOYSA-N

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