General Information of the Compound
| Compound ID |
CP0019781
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| Compound Name |
2-chloro-N-[3-[(3-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]-6-fluorobenzamide
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| Structure |
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| Formula |
C25H20Cl2FN3O2
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| Molecular Weight |
484.358
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| Canonical SMILES |
CCCc1nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2c(=O)n1Cc1cccc(Cl)c1
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| InChI |
InChI=1S/C25H20Cl2FN3O2/c1-2-5-22-30-21-11-10-17(29-24(32)23-19(27)8-4-9-20(23)28)13-18(21)25(33)31(22)14-15-6-3-7-16(26)12-15/h3-4,6-13H,2,5,14H2,1H3,(H,29,32)
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| InChIKey |
XJGHJRBMZZOFNF-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