General Information of the Compound
| Compound ID |
CP0560515
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| Compound Name |
[4-chloro-3-[(4-fluoropiperidin-1-yl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethylpyridin-3-yl)-(3-methyltriazol-4-yl)methanol
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| Structure |
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| Formula |
C27H30ClFN6O2
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| Molecular Weight |
525.028
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| Canonical SMILES |
COc1nc2ccc(cc2c(Cl)c1CN1CCC(F)CC1)C(O)(c1cnnn1C)c1ccc(C)nc1C
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| InChI |
InChI=1S/C27H30ClFN6O2/c1-16-5-7-22(17(2)31-16)27(36,24-14-30-33-34(24)3)18-6-8-23-20(13-18)25(28)21(26(32-23)37-4)15-35-11-9-19(29)10-12-35/h5-8,13-14,19,36H,9-12,15H2,1-4H3
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| InChIKey |
GHJLDGXEWJFLLA-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