General Information of the Compound
| Compound ID |
CP0961737
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| Compound Name |
N-(5-cyano-2-(4-((3,5-difluoropyridin-2-yl)methyl)piperazin-1-yl)phenyl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C24H22F2N6O2
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| Molecular Weight |
464.476
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| Canonical SMILES |
COc1ncccc1C(=O)Nc1cc(C#N)ccc1N1CCN(Cc2ncc(F)cc2F)CC1
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| InChI |
InChI=1S/C24H22F2N6O2/c1-34-24-18(3-2-6-28-24)23(33)30-20-11-16(13-27)4-5-22(20)32-9-7-31(8-10-32)15-21-19(26)12-17(25)14-29-21/h2-6,11-12,14H,7-10,15H2,1H3,(H,30,33)
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| InChIKey |
VKFCEVJGWZOKPZ-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