General Information of the Compound
| Compound ID |
CP0458207
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| Compound Name |
[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol
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| Structure |
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| Formula |
C26H29ClF3N7O2
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| Molecular Weight |
564.012
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| Canonical SMILES |
COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
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| InChI |
InChI=1S/C26H29ClF3N7O2/c1-15-31-12-21(35(15)2)25(38,22-13-32-34-36(22)3)17-5-6-20-18(11-17)23(27)19(24(33-20)39-4)14-37-9-7-16(8-10-37)26(28,29)30/h5-6,11-13,16,38H,7-10,14H2,1-4H3
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| InChIKey |
CPYPTQBCRAYHAP-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