Basic Information |
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Product Name: | N-(4-(4-(3-METHYL-1H-PYRAZOL-5-YLAMINO)-6-(4-METHYLPIPERAZIN-1-YL)PYRIMIDIN-2-YLTHIO)PHENYL)CYCLOPROPANECARBOXAMIDE |
CAS: | 639089-54-6 |
English Synonyms: | CYCLOPROPANECARBOXAMIDE, N-[4-[[4-(4-METHYL-1-PIPERAZINYL)-6-[(5-METHYL-1H-PYRAZOL-3-YL)AMINO]-2-PYRIMIDINYL]THIO]PHENYL]- ; VX680 ; N-(4-(4-(3-METHYL-1H-PYRAZOL-5-YLAMINO)-6-(4-METHYLPIPERAZIN-1-YL)PYRIMIDIN-2-YLTHIO)PHENYL)CYCLOPROPANECARBOXAMIDE |
MDL Number.: | MFCD10565966 |
H bond acceptor: | 9 |
H bond donor: | 3 |
Smile: | Cc1cc([nH]n1)Nc2cc(nc(n2)Sc3ccc(cc3)NC(=O)C4CC4)N5CCN(CC5)C |
InChi: | InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) |
InChiKey: | InChIKey=GCIKSSRWRFVXBI-UHFFFAOYSA-N |
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