General Information of the Compound
| Compound ID |
CP0938769
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| Compound Name |
6-chloro-N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C25H21ClF2N4O3
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| Molecular Weight |
498.917
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| Canonical SMILES |
COc1nc(Cl)ccc1C(=O)Nc1cc(C#N)ccc1N1CCC(Oc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C25H21ClF2N4O3/c1-34-25-18(4-7-23(26)31-25)24(33)30-20-12-15(14-29)2-5-21(20)32-10-8-17(9-11-32)35-22-6-3-16(27)13-19(22)28/h2-7,12-13,17H,8-11H2,1H3,(H,30,33)
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| InChIKey |
WVTUZXKXQDQTAU-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