General Information of the Compound
| Compound ID |
CP0514671
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| Compound Name |
2-(3-(3,4-dichlorobenzyl)-4-oxo-3,4-dihydroquinazolin-6-ylamino)-2-oxoacetic acid
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| Structure |
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| Formula |
C17H11Cl2N3O4
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| Molecular Weight |
392.198
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| Canonical SMILES |
OC(=O)C(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1
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| InChI |
InChI=1S/C17H11Cl2N3O4/c18-12-3-1-9(5-13(12)19)7-22-8-20-14-4-2-10(6-11(14)16(22)24)21-15(23)17(25)26/h1-6,8H,7H2,(H,21,23)(H,25,26)
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| InChIKey |
ZFQYHUXDDOLXRV-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