General Information of the Compound
| Compound ID |
CP0953833
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| Compound Name |
N-(5-cyano-2-(4-(2,3-difluorobenzyl)piperazin-1-yl)phenyl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C25H23F2N5O2
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| Molecular Weight |
463.488
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| Canonical SMILES |
COc1ncccc1C(=O)Nc1cc(C#N)ccc1N1CCN(Cc2cccc(F)c2F)CC1
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| InChI |
InChI=1S/C25H23F2N5O2/c1-34-25-19(5-3-9-29-25)24(33)30-21-14-17(15-28)7-8-22(21)32-12-10-31(11-13-32)16-18-4-2-6-20(26)23(18)27/h2-9,14H,10-13,16H2,1H3,(H,30,33)
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| InChIKey |
TWUYIMACDIFJPK-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