General Information of the Compound
| Compound ID |
CP0523154
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| Compound Name |
[4-(7-methoxyquinolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
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| Structure |
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| Formula |
C23H21F3N2O3
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| Molecular Weight |
430.426
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| Canonical SMILES |
COc1ccc2c(ccnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C23H21F3N2O3/c1-30-18-6-7-20-19(8-11-27-21(20)14-18)15-9-12-28(13-10-15)22(29)16-2-4-17(5-3-16)31-23(24,25)26/h2-8,11,14-15H,9-10,12-13H2,1H3
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| InChIKey |
VBSDNKDEIMVTQP-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