General Information of the Compound
| Compound ID |
CP0418737
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| Compound Name |
N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide
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| Structure |
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| Formula |
C18H13ClF3N3O3
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| Molecular Weight |
411.767
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| Canonical SMILES |
OCC(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(c3)C(F)(F)F)c(=O)c2c1
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| InChI |
InChI=1S/C18H13ClF3N3O3/c19-14-3-1-10(5-13(14)18(20,21)22)7-25-9-23-15-4-2-11(24-16(27)8-26)6-12(15)17(25)28/h1-6,9,26H,7-8H2,(H,24,27)
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| InChIKey |
IDYGCGYCHOUWQB-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