General Information of the Compound
| Compound ID |
CP0398383
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| Compound Name |
N-[[4-chloro-3-[4-oxo-7-(trifluoromethyl)-3H-quinazolin-2-yl]phenyl]methyl]-2-methylpropanamide
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| Structure |
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| Formula |
C20H17ClF3N3O2
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| Molecular Weight |
423.822
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| Canonical SMILES |
CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C20H17ClF3N3O2/c1-10(2)18(28)25-9-11-3-6-15(21)14(7-11)17-26-16-8-12(20(22,23)24)4-5-13(16)19(29)27-17/h3-8,10H,9H2,1-2H3,(H,25,28)(H,26,27,29)
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| InChIKey |
NKZAXYMWQKPYLB-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