General Information of the Compound
| Compound ID |
CP0931286
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| Compound Name |
N-(5-cyano-2-(4-(4-fluorobenzyl)piperazin-1-yl)pyridin-3-yl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C24H23FN6O2
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| Molecular Weight |
446.486
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| Canonical SMILES |
COc1ncccc1C(=O)Nc1cc(C#N)cnc1N1CCN(Cc2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C24H23FN6O2/c1-33-24-20(3-2-8-27-24)23(32)29-21-13-18(14-26)15-28-22(21)31-11-9-30(10-12-31)16-17-4-6-19(25)7-5-17/h2-8,13,15H,9-12,16H2,1H3,(H,29,32)
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| InChIKey |
MVNZNRPLXGNATD-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