General Information of the Compound
| Compound ID |
CP0401068
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| Compound Name |
3-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
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| Structure |
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| Formula |
C20H14N6O3
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| Molecular Weight |
386.371
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)C(=O)Nc1ccccc1-c1nnn(n1)-c1ccccc1
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| InChI |
InChI=1S/C20H14N6O3/c27-20(14-7-6-10-16(13-14)26(28)29)21-18-12-5-4-11-17(18)19-22-24-25(23-19)15-8-2-1-3-9-15/h1-13H,(H,21,27)
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| InChIKey |
IEIQBMNYLHNEDD-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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2