General Information of the Compound
| Compound ID |
CP0953835
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| Compound Name |
3-chloro-N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-2,6-dimethoxybenzamide
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| Structure |
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| Formula |
C27H24ClF2N3O4
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| Molecular Weight |
527.955
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| Canonical SMILES |
COc1ccc(Cl)c(OC)c1C(=O)Nc1cc(C#N)ccc1N1CCC(Oc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C27H24ClF2N3O4/c1-35-24-8-5-19(28)26(36-2)25(24)27(34)32-21-13-16(15-31)3-6-22(21)33-11-9-18(10-12-33)37-23-7-4-17(29)14-20(23)30/h3-8,13-14,18H,9-12H2,1-2H3,(H,32,34)
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| InChIKey |
VXUIVESBOOONBI-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