General Information of the Compound
| Compound ID |
CP0561935
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| Compound Name |
[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[6-(trifluoromethoxy)pyridin-3-yl]methanone
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| Structure |
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| Formula |
C22H21F3N4O4
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| Molecular Weight |
462.428
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| Canonical SMILES |
COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(OC(F)(F)F)nc3)c2cc1OC
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| InChI |
InChI=1S/C22H21F3N4O4/c1-31-17-9-15-16(10-18(17)32-2)27-12-28-20(15)13-5-7-29(8-6-13)21(30)14-3-4-19(26-11-14)33-22(23,24)25/h3-4,9-13H,5-8H2,1-2H3
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| InChIKey |
GMQHWFXEDIYBFG-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