General Information of the Compound
| Compound ID |
CP0577138
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| Compound Name |
[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
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| Structure |
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| Formula |
C22H20F3N3O3
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| Molecular Weight |
431.414
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| Canonical SMILES |
COc1ccc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C22H20F3N3O3/c1-30-17-6-7-18-19(12-17)26-13-27-20(18)14-8-10-28(11-9-14)21(29)15-2-4-16(5-3-15)31-22(23,24)25/h2-7,12-14H,8-11H2,1H3
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| InChIKey |
QLZFVKUNRWLYPC-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