General Information of the Compound
| Compound ID |
CP0500417
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| Compound Name |
7-Chloro-3-[2-(3-fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-3H-quinazolin-4-one
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| Structure |
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| Formula |
C22H16ClFN2O2
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| Molecular Weight |
394.833
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| Canonical SMILES |
Oc1ccccc1-c1nc2cc(Cl)ccc2c(=O)n1CCc1cccc(F)c1
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| InChI |
InChI=1S/C22H16ClFN2O2/c23-15-8-9-17-19(13-15)25-21(18-6-1-2-7-20(18)27)26(22(17)28)11-10-14-4-3-5-16(24)12-14/h1-9,12-13,27H,10-11H2
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| InChIKey |
KNIMOPDLGMIJCA-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