General Information of the Compound
| Compound ID |
CP0960258
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| Compound Name |
N-(5-cyano-2-(4-(2-cyanobenzyl)piperazin-1-yl)phenyl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C26H24N6O2
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| Molecular Weight |
452.518
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| Canonical SMILES |
COc1ncccc1C(=O)Nc1cc(C#N)ccc1N1CCN(Cc2ccccc2C#N)CC1
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| InChI |
InChI=1S/C26H24N6O2/c1-34-26-22(7-4-10-29-26)25(33)30-23-15-19(16-27)8-9-24(23)32-13-11-31(12-14-32)18-21-6-3-2-5-20(21)17-28/h2-10,15H,11-14,18H2,1H3,(H,30,33)
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| InChIKey |
AYYMLSBNGSVPBZ-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