General Information of the Compound
| Compound ID |
CP0408573
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| Compound Name |
(3-Nitro-phenyl)-(2-phenyl-quinazolin-4-yl)-amine
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| Structure |
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| Formula |
C20H14N4O2
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| Molecular Weight |
342.358
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| Canonical SMILES |
[O-][N+](=O)c1cccc(Nc2nc(nc3ccccc23)-c2ccccc2)c1
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| InChI |
InChI=1S/C20H14N4O2/c25-24(26)16-10-6-9-15(13-16)21-20-17-11-4-5-12-18(17)22-19(23-20)14-7-2-1-3-8-14/h1-13H,(H,21,22,23)
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| InChIKey |
KBEUKMLEXDGSBY-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