General Information of the Compound
| Compound ID |
CP0455884
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| Compound Name |
6-chloro-N-[(4,4-difluorocyclohexyl)methyl]quinoline-5-carboxamide
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| Structure |
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| Formula |
C17H17ClF2N2O
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| Molecular Weight |
338.785
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| Canonical SMILES |
FC1(F)CCC(CNC(=O)c2c(Cl)ccc3ncccc23)CC1
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| InChI |
InChI=1S/C17H17ClF2N2O/c18-13-3-4-14-12(2-1-9-21-14)15(13)16(23)22-10-11-5-7-17(19,20)8-6-11/h1-4,9,11H,5-8,10H2,(H,22,23)
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| InChIKey |
QIFLEBFQNFAPSK-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