General Information of the Compound
| Compound ID |
CP0517702
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| Compound Name |
[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)pyridin-4-yl]methanol
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| Structure |
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| Formula |
C28H26ClF6N5O2
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| Molecular Weight |
613.99
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| Canonical SMILES |
COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
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| InChI |
InChI=1S/C28H26ClF6N5O2/c1-39-15-36-13-23(39)26(41,18-5-8-37-22(12-18)28(33,34)35)17-3-4-21-19(11-17)24(29)20(25(38-21)42-2)14-40-9-6-16(7-10-40)27(30,31)32/h3-5,8,11-13,15-16,41H,6-7,9-10,14H2,1-2H3
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| InChIKey |
WKRSIIXAADWVGJ-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