General Information of the Compound
| Compound ID |
CP0909906
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| Compound Name |
5-chloro-N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-2-metlhoxy-3-methylbenzamide
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| Structure |
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| Formula |
C27H24ClF2N3O3
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| Molecular Weight |
511.956
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| Canonical SMILES |
COc1c(C)cc(Cl)cc1C(=O)Nc1cc(C#N)ccc1N1CCC(Oc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C27H24ClF2N3O3/c1-16-11-18(28)13-21(26(16)35-2)27(34)32-23-12-17(15-31)3-5-24(23)33-9-7-20(8-10-33)36-25-6-4-19(29)14-22(25)30/h3-6,11-14,20H,7-10H2,1-2H3,(H,32,34)
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| InChIKey |
BHWJDMMQTKBOGM-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