General Information of the Compound
| Compound ID |
CP0514112
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| Compound Name |
benzyl N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]carbamate
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| Structure |
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| Formula |
C23H18ClN3O3
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| Molecular Weight |
419.868
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| Canonical SMILES |
Clc1ccc(Cn2cnc3ccc(NC(=O)OCc4ccccc4)cc3c2=O)cc1
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| InChI |
InChI=1S/C23H18ClN3O3/c24-18-8-6-16(7-9-18)13-27-15-25-21-11-10-19(12-20(21)22(27)28)26-23(29)30-14-17-4-2-1-3-5-17/h1-12,15H,13-14H2,(H,26,29)
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| InChIKey |
NKEFSVLJXCEEQY-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