General Information of the Compound
| Compound ID |
CP0963441
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| Compound Name |
N-(5-cyano-2-(4-(4,5-difluoro-2-methoxybenzyl)piperazin-1-yl)pyridin-3-yl)-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C24H25F2N7O3
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| Molecular Weight |
497.506
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| Canonical SMILES |
COc1cc(F)c(F)cc1CN1CCN(c2ncc(C#N)cc2NC(=O)c2cn(C)nc2OC)CC1
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| InChI |
InChI=1S/C24H25F2N7O3/c1-31-14-17(24(30-31)36-3)23(34)29-20-8-15(11-27)12-28-22(20)33-6-4-32(5-7-33)13-16-9-18(25)19(26)10-21(16)35-2/h8-10,12,14H,4-7,13H2,1-3H3,(H,29,34)
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| InChIKey |
XQVXWYUYTHNFEO-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound