General Information of the Compound
| Compound ID |
CP0471838
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| Compound Name |
2-[4-(4-chloroanilino)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C28H30ClF3N4O
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| Molecular Weight |
531.022
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(Nc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C28H30ClF3N4O/c1-18-13-15-36(16-14-18)26-21(5-12-25(35-26)28(30,31)32)17-33-27(37)19(2)20-3-8-23(9-4-20)34-24-10-6-22(29)7-11-24/h3-12,18-19,34H,13-17H2,1-2H3,(H,33,37)
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| InChIKey |
PTEXSTMKWSUEMJ-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