General Information of the Compound
| Compound ID |
CP0538081
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| Compound Name |
[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-methylphenyl)methanone
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| Structure |
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| Formula |
C23H25N3O3
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| Molecular Weight |
391.471
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| Canonical SMILES |
COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(C)cc3)c2cc1OC
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| InChI |
InChI=1S/C23H25N3O3/c1-15-4-6-17(7-5-15)23(27)26-10-8-16(9-11-26)22-18-12-20(28-2)21(29-3)13-19(18)24-14-25-22/h4-7,12-14,16H,8-11H2,1-3H3
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| InChIKey |
UICPBWJEYSWKSF-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