General Information of the Compound
| Compound ID |
CP0960262
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorobenzoyl)piperazin-1-yl)phenyl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C25H21F2N5O3
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| Molecular Weight |
477.471
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| Canonical SMILES |
COc1ncccc1C(=O)Nc1cc(C#N)ccc1N1CCN(C(=O)c2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C25H21F2N5O3/c1-35-24-19(3-2-8-29-24)23(33)30-21-13-16(15-28)4-7-22(21)31-9-11-32(12-10-31)25(34)18-6-5-17(26)14-20(18)27/h2-8,13-14H,9-12H2,1H3,(H,30,33)
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| InChIKey |
LWHCFTAODRDWKN-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