General Information of the Compound
| Compound ID |
CP0542831
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| Compound Name |
N-[3-[(6-nitro-2-phenylquinazolin-4-yl)amino]phenyl]acetamide
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| Structure |
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| Formula |
C22H17N5O3
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| Molecular Weight |
399.41
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| Canonical SMILES |
CC(=O)Nc1cccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2ccccc2)c1
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| InChI |
InChI=1S/C22H17N5O3/c1-14(28)23-16-8-5-9-17(12-16)24-22-19-13-18(27(29)30)10-11-20(19)25-21(26-22)15-6-3-2-4-7-15/h2-13H,1H3,(H,23,28)(H,24,25,26)
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| InChIKey |
CWTFAHQTCPCXAZ-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