General Information of the Compound
| Compound ID |
CP0514114
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| Compound Name |
benzyl N-[3-[(3,4-dimethylphenyl)methyl]-4-oxoquinazolin-6-yl]carbamate
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| Structure |
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| Formula |
C25H23N3O3
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| Molecular Weight |
413.477
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| Canonical SMILES |
Cc1ccc(Cn2cnc3ccc(NC(=O)OCc4ccccc4)cc3c2=O)cc1C
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| InChI |
InChI=1S/C25H23N3O3/c1-17-8-9-20(12-18(17)2)14-28-16-26-23-11-10-21(13-22(23)24(28)29)27-25(30)31-15-19-6-4-3-5-7-19/h3-13,16H,14-15H2,1-2H3,(H,27,30)
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| InChIKey |
HFTPWWWEDCJNRU-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