General Information of the Compound
| Compound ID |
CP0514113
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| Compound Name |
benzyl N-[3-[(3-chloro-4-fluorophenyl)methyl]-4-oxoquinazolin-6-yl]carbamate
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| Structure |
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| Formula |
C23H17ClFN3O3
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| Molecular Weight |
437.858
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| Canonical SMILES |
Fc1ccc(Cn2cnc3ccc(NC(=O)OCc4ccccc4)cc3c2=O)cc1Cl
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| InChI |
InChI=1S/C23H17ClFN3O3/c24-19-10-16(6-8-20(19)25)12-28-14-26-21-9-7-17(11-18(21)22(28)29)27-23(30)31-13-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,27,30)
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| InChIKey |
LDXYQWNHOVBYJK-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