General Information of the Compound
Compound ID |
CP0965084
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Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-4-methoxy-2-methylpyrimidine-5-carboxamide
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Structure |
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Formula |
C25H23F2N5O3
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Molecular Weight |
479.487
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Canonical SMILES |
COc1nc(C)ncc1C(=O)Nc1cc(C#N)ccc1N1CCC(Oc2ccc(F)cc2F)CC1
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InChI |
InChI=1S/C25H23F2N5O3/c1-15-29-14-19(25(30-15)34-2)24(33)31-21-11-16(13-28)3-5-22(21)32-9-7-18(8-10-32)35-23-6-4-17(26)12-20(23)27/h3-6,11-12,14,18H,7-10H2,1-2H3,(H,31,33)
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InChIKey |
GJBQDORVHNRGTQ-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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