General Information of the Compound
| Compound ID |
CP0563037
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| Compound Name |
3-[2-(3,5-dimethoxyphenyl)ethyl]-6-pyrimidin-5-ylquinazolin-4-one
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| Structure |
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| Formula |
C22H20N4O3
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| Molecular Weight |
388.427
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| Canonical SMILES |
COc1cc(CCn2cnc3ccc(cc3c2=O)-c2cncnc2)cc(OC)c1
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| InChI |
InChI=1S/C22H20N4O3/c1-28-18-7-15(8-19(10-18)29-2)5-6-26-14-25-21-4-3-16(9-20(21)22(26)27)17-11-23-13-24-12-17/h3-4,7-14H,5-6H2,1-2H3
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| InChIKey |
HBKGCKMWRJAMMF-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