General Information of the Compound
| Compound ID |
CP0177578
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| Compound Name |
6-chloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]quinoline-5-carboxamide
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| Structure |
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| Formula |
C22H27ClFN3O2
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| Molecular Weight |
419.928
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| Canonical SMILES |
C[C@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@@H](F)C2)C1
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| InChI |
InChI=1S/C22H27ClFN3O2/c1-14-3-2-9-22(29,11-14)13-25-21(28)20-16-4-7-19(27-10-8-15(24)12-27)26-18(16)6-5-17(20)23/h4-7,14-15,29H,2-3,8-13H2,1H3,(H,25,28)/t14-,15+,22-/m0/s1
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| InChIKey |
TYVVUDSQBIAFBI-KIMHZCHSSA-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