General Information of the Compound
| Compound ID |
CP0953810
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| Compound Name |
N-(5-cyano-2-(4-(2-cyano-4-fluorobenzyl)piperazin-1-yl)phenyl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C26H23FN6O2
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| Molecular Weight |
470.508
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| Canonical SMILES |
COc1ncccc1C(=O)Nc1cc(C#N)ccc1N1CCN(Cc2ccc(F)cc2C#N)CC1
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| InChI |
InChI=1S/C26H23FN6O2/c1-35-26-22(3-2-8-30-26)25(34)31-23-13-18(15-28)4-7-24(23)33-11-9-32(10-12-33)17-19-5-6-21(27)14-20(19)16-29/h2-8,13-14H,9-12,17H2,1H3,(H,31,34)
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| InChIKey |
KHXYOKPQSATSJO-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