General Information of the Compound
| Compound ID |
CP0577254
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| Compound Name |
3-[2-(3,5-dimethoxyphenyl)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-one
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| Structure |
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| Formula |
C23H23N3O4
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| Molecular Weight |
405.454
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| Canonical SMILES |
COc1cc(CCn2cnc3ccc(cc3c2=O)-c2c(C)noc2C)cc(OC)c1
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| InChI |
InChI=1S/C23H23N3O4/c1-14-22(15(2)30-25-14)17-5-6-21-20(11-17)23(27)26(13-24-21)8-7-16-9-18(28-3)12-19(10-16)29-4/h5-6,9-13H,7-8H2,1-4H3
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| InChIKey |
QSZLXPUMGIIDPD-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