General Information of the Compound
| Compound ID |
CP0412502
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| Compound Name |
3-N-[2-(3-nitrophenyl)quinazolin-4-yl]benzene-1,3-diamine
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| Structure |
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| Formula |
C20H15N5O2
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| Molecular Weight |
357.373
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| Canonical SMILES |
Nc1cccc(Nc2nc(nc3ccccc23)-c2cccc(c2)[N+]([O-])=O)c1
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| InChI |
InChI=1S/C20H15N5O2/c21-14-6-4-7-15(12-14)22-20-17-9-1-2-10-18(17)23-19(24-20)13-5-3-8-16(11-13)25(26)27/h1-12H,21H2,(H,22,23,24)
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| InChIKey |
ZEXFCOMUPSSGCS-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