General Information of the Compound
| Compound ID |
CP0575462
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| Compound Name |
[4-chloro-2-methoxy-3-[[3-(trifluoromethyl)azetidin-1-yl]methyl]quinolin-6-yl]-(2,6-dimethylpyridin-3-yl)-(3-methyltriazol-4-yl)methanol
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| Structure |
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| Formula |
C26H26ClF3N6O2
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| Molecular Weight |
546.981
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| Canonical SMILES |
COc1nc2ccc(cc2c(Cl)c1CN1CC(C1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C
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| InChI |
InChI=1S/C26H26ClF3N6O2/c1-14-5-7-20(15(2)32-14)25(37,22-10-31-34-35(22)3)16-6-8-21-18(9-16)23(27)19(24(33-21)38-4)13-36-11-17(12-36)26(28,29)30/h5-10,17,37H,11-13H2,1-4H3
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| InChIKey |
RVMOFFWBRUJSBL-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