General Information of the Compound
| Compound ID |
CP0491714
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| Compound Name |
2-bromo-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]-5-methoxybenzamide
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| Synonyms |
PMID26936077-Compound-21
Quinazoline derivative 10
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| Structure |
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| Formula |
C22H15BrFN3O3
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| Molecular Weight |
468.282
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| Canonical SMILES |
COc1ccc(Br)c(c1)C(=O)Nn1c(nc2ccccc2c1=O)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H15BrFN3O3/c1-30-15-10-11-18(23)17(12-15)21(28)26-27-20(13-6-8-14(24)9-7-13)25-19-5-3-2-4-16(19)22(27)29/h2-12H,1H3,(H,26,28)
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| InChIKey |
NCDCVFJWCCFMHL-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
Clinical Information about the Compound