General Information of the Compound
| Compound ID |
CP0531962
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| Compound Name |
6-chloro-N-[(4,4-difluorocyclohexyl)methyl]-2-pyrrolidin-1-ylquinoline-5-carboxamide
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| Structure |
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| Formula |
C21H24ClF2N3O
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| Molecular Weight |
407.892
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| Canonical SMILES |
FC1(F)CCC(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CCCC2)CC1
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| InChI |
InChI=1S/C21H24ClF2N3O/c22-16-4-5-17-15(3-6-18(26-17)27-11-1-2-12-27)19(16)20(28)25-13-14-7-9-21(23,24)10-8-14/h3-6,14H,1-2,7-13H2,(H,25,28)
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| InChIKey |
MVVXTUQPDUPVCL-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