General Information of the Compound
| Compound ID |
CP0909920
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)pyridin-3-yl)-4-hydroxynicotinamide
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| Structure |
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| Formula |
C23H19F2N5O3
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| Molecular Weight |
451.433
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| Canonical SMILES |
N#Cc1cnc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2cnccc2O)c1
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| InChI |
InChI=1S/C23H19F2N5O3/c24-15-1-2-21(18(25)10-15)33-16-4-7-30(8-5-16)22-19(9-14(11-26)12-28-22)29-23(32)17-13-27-6-3-20(17)31/h1-3,6,9-10,12-13,16H,4-5,7-8H2,(H,27,31)(H,29,32)
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| InChIKey |
SRHNADGGKHSQLU-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