General Information of the Compound
| Compound ID |
CP0559590
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| Compound Name |
3-[2-(3,5-dimethoxyphenyl)ethyl]-6-(5-methyl-1H-pyrazol-4-yl)quinazolin-4-one
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| Structure |
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| Formula |
C22H22N4O3
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| Molecular Weight |
390.443
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| Canonical SMILES |
COc1cc(CCn2cnc3ccc(cc3c2=O)-c2cn[nH]c2C)cc(OC)c1
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| InChI |
InChI=1S/C22H22N4O3/c1-14-20(12-24-25-14)16-4-5-21-19(10-16)22(27)26(13-23-21)7-6-15-8-17(28-2)11-18(9-15)29-3/h4-5,8-13H,6-7H2,1-3H3,(H,24,25)
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| InChIKey |
DUUJSMLVHYPUNZ-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