General Information of the Compound
| Compound ID |
CP0530136
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| Compound Name |
3-[2-(3,5-dimethoxyphenyl)ethyl]-6-(2,4-dimethoxypyrimidin-5-yl)quinazolin-4-one
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| Structure |
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| Formula |
C24H24N4O5
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| Molecular Weight |
448.479
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| Canonical SMILES |
COc1cc(CCn2cnc3ccc(cc3c2=O)-c2cnc(OC)nc2OC)cc(OC)c1
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| InChI |
InChI=1S/C24H24N4O5/c1-30-17-9-15(10-18(12-17)31-2)7-8-28-14-26-21-6-5-16(11-19(21)23(28)29)20-13-25-24(33-4)27-22(20)32-3/h5-6,9-14H,7-8H2,1-4H3
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| InChIKey |
CUNQTBXYMBSXIM-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