General Information of the Compound
| Compound ID |
CP0518999
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| Compound Name |
3-[(6-nitro-2-phenylquinazolin-4-yl)amino]benzoic acid
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| Structure |
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| Formula |
C21H14N4O4
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| Molecular Weight |
386.367
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| Canonical SMILES |
OC(=O)c1cccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2ccccc2)c1
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| InChI |
InChI=1S/C21H14N4O4/c26-21(27)14-7-4-8-15(11-14)22-20-17-12-16(25(28)29)9-10-18(17)23-19(24-20)13-5-2-1-3-6-13/h1-12H,(H,26,27)(H,22,23,24)
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| InChIKey |
ZKSJEHRCJFEYKO-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