General Information of the Compound
| Compound ID |
CP0963450
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)pyridin-3-yl)picolinamide
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| Structure |
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| Formula |
C23H19F2N5O2
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| Molecular Weight |
435.434
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| Canonical SMILES |
N#Cc1cnc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2ccccn2)c1
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| InChI |
InChI=1S/C23H19F2N5O2/c24-16-4-5-21(18(25)12-16)32-17-6-9-30(10-7-17)22-20(11-15(13-26)14-28-22)29-23(31)19-3-1-2-8-27-19/h1-5,8,11-12,14,17H,6-7,9-10H2,(H,29,31)
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| InChIKey |
XEEVAYVGSAOFLE-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