General Information of the Compound
| Compound ID |
CP0969819
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| Compound Name |
N-(5-cyano-2-(4-(4-fluorobenzoyl)piperazin-1-yl)phenyl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C25H22FN5O3
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| Molecular Weight |
459.481
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| Canonical SMILES |
COc1ncccc1C(=O)Nc1cc(C#N)ccc1N1CCN(C(=O)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C25H22FN5O3/c1-34-24-20(3-2-10-28-24)23(32)29-21-15-17(16-27)4-9-22(21)30-11-13-31(14-12-30)25(33)18-5-7-19(26)8-6-18/h2-10,15H,11-14H2,1H3,(H,29,32)
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| InChIKey |
QXKXMUDVPGSQNQ-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