General Information of the Compound
| Compound ID |
CP0461701
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| Compound Name |
[4-chloro-2-methoxy-3-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
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| Structure |
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| Formula |
C28H22ClF3N4O4S
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| Molecular Weight |
603.022
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| Canonical SMILES |
COc1nc2ccc(cc2c(Cl)c1-c1ccc(cc1)S(C)(=O)=O)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C28H22ClF3N4O4S/c1-36-15-33-14-23(36)27(37,18-7-11-22(34-13-18)28(30,31)32)17-6-10-21-20(12-17)25(29)24(26(35-21)40-2)16-4-8-19(9-5-16)41(3,38)39/h4-15,37H,1-3H3
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| InChIKey |
GBSZBTDJEFDZLG-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