General Information of the Compound
| Compound ID |
CP0953840
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-5-fluoro-6-methylpicolinamide
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| Structure |
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| Formula |
C25H21F3N4O2
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| Molecular Weight |
466.463
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| Canonical SMILES |
Cc1nc(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3ccc(F)cc3F)CC2)ccc1F
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| InChI |
InChI=1S/C25H21F3N4O2/c1-15-19(27)4-5-21(30-15)25(33)31-22-12-16(14-29)2-6-23(22)32-10-8-18(9-11-32)34-24-7-3-17(26)13-20(24)28/h2-7,12-13,18H,8-11H2,1H3,(H,31,33)
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| InChIKey |
ITZGBKIILNGMDE-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