General Information of the Compound
| Compound ID |
CP0412385
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| Compound Name |
N-[2-(4-phenyltriazol-1-yl)phenyl]benzamide
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| Structure |
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| Formula |
C21H16N4O
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| Molecular Weight |
340.386
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| Canonical SMILES |
O=C(Nc1ccccc1-n1cc(nn1)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C21H16N4O/c26-21(17-11-5-2-6-12-17)22-18-13-7-8-14-20(18)25-15-19(23-24-25)16-9-3-1-4-10-16/h1-15H,(H,22,26)
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| InChIKey |
PWPQYHFUVPQSBU-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000036 | MDCK-II | Canis lupus familiaris (Dog) | 1 |
| 1 |
GI50 = 506000 nM
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TI
LI
LO
TS
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