General Information of the Compound
| Compound ID |
CP0931280
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-5-methoxypicolinamide
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| Structure |
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| Formula |
C25H22F2N4O3
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| Molecular Weight |
464.472
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| Canonical SMILES |
COc1ccc(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3ccc(F)cc3F)CC2)nc1
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| InChI |
InChI=1S/C25H22F2N4O3/c1-33-19-4-5-21(29-15-19)25(32)30-22-12-16(14-28)2-6-23(22)31-10-8-18(9-11-31)34-24-7-3-17(26)13-20(24)27/h2-7,12-13,15,18H,8-11H2,1H3,(H,30,32)
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| InChIKey |
AVQPKSWTZAPSDD-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