General Information of the Compound
| Compound ID |
CP0522990
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| Compound Name |
N-[[4-chloro-3-(7-nitro-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]-2-methylpropanamide
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| Structure |
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| Formula |
C19H17ClN4O4
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| Molecular Weight |
400.822
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| Canonical SMILES |
CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)[N+]([O-])=O
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| InChI |
InChI=1S/C19H17ClN4O4/c1-10(2)18(25)21-9-11-3-6-15(20)14(7-11)17-22-16-8-12(24(27)28)4-5-13(16)19(26)23-17/h3-8,10H,9H2,1-2H3,(H,21,25)(H,22,23,26)
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| InChIKey |
KCBXIEQXOZERAQ-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