General Information of the Compound
| Compound ID |
CP0442034
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| Compound Name |
3-[4-(2-aminobenzoyl)triazol-1-yl]benzonitrile
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| Structure |
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| Formula |
C16H11N5O
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| Molecular Weight |
289.298
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| Canonical SMILES |
Nc1ccccc1C(=O)c1cn(nn1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C16H11N5O/c17-9-11-4-3-5-12(8-11)21-10-15(19-20-21)16(22)13-6-1-2-7-14(13)18/h1-8,10H,18H2
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| InChIKey |
DVZHGHIYWRPKCX-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