General Information of the Compound
| Compound ID |
CP0960264
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| Compound Name |
N-(2-(4-benzoylpiperidin-1-yl)-5-cyanophenyl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C26H24N4O3
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| Molecular Weight |
440.503
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| Canonical SMILES |
COc1ncccc1C(=O)Nc1cc(C#N)ccc1N1CCC(C(=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C26H24N4O3/c1-33-26-21(8-5-13-28-26)25(32)29-22-16-18(17-27)9-10-23(22)30-14-11-20(12-15-30)24(31)19-6-3-2-4-7-19/h2-10,13,16,20H,11-12,14-15H2,1H3,(H,29,32)
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| InChIKey |
AOQWGIPHWGFCHF-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