General Information of the Compound
| Compound ID |
CP0389668
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| Compound Name |
3-[(6-nitro-2-phenylquinazolin-4-yl)amino]benzonitrile
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| Structure |
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| Formula |
C21H13N5O2
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| Molecular Weight |
367.368
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| Canonical SMILES |
[O-][N+](=O)c1ccc2nc(nc(Nc3cccc(c3)C#N)c2c1)-c1ccccc1
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| InChI |
InChI=1S/C21H13N5O2/c22-13-14-5-4-8-16(11-14)23-21-18-12-17(26(27)28)9-10-19(18)24-20(25-21)15-6-2-1-3-7-15/h1-12H,(H,23,24,25)
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| InChIKey |
YGVMYAVTABEKHB-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
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2