General Information of the Compound
| Compound ID |
CP0534712
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| Compound Name |
[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
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| Structure |
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| Formula |
C25H29N3O4
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| Molecular Weight |
435.524
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| Canonical SMILES |
COc1cc2ncnc(C3CCN(CC3)C(=O)c3ccc(OC(C)C)cc3)c2cc1OC
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| InChI |
InChI=1S/C25H29N3O4/c1-16(2)32-19-7-5-18(6-8-19)25(29)28-11-9-17(10-12-28)24-20-13-22(30-3)23(31-4)14-21(20)26-15-27-24/h5-8,13-17H,9-12H2,1-4H3
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| InChIKey |
HNUOKELOOIZICT-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