General Information of the Compound
| Compound ID |
CP0557986
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| Compound Name |
6-chloro-2-cyclopentyl-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide
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| Structure |
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| Formula |
C22H25ClF2N2O
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| Molecular Weight |
406.904
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| Canonical SMILES |
FC1(F)CCC(CNC(=O)c2c(Cl)ccc3nc(ccc23)C2CCCC2)CC1
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| InChI |
InChI=1S/C22H25ClF2N2O/c23-17-6-8-19-16(5-7-18(27-19)15-3-1-2-4-15)20(17)21(28)26-13-14-9-11-22(24,25)12-10-14/h5-8,14-15H,1-4,9-13H2,(H,26,28)
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| InChIKey |
KMZJAZMJHPDDPI-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