General Information of the Compound
| Compound ID |
CP0249013
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| Compound Name |
N-methyl-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide
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| Structure |
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| Formula |
C16H16N6O
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| Molecular Weight |
308.345
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| Canonical SMILES |
CNC(=O)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
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| InChI |
InChI=1S/C16H16N6O/c1-17-16(23)12-3-2-4-13(9-12)19-10-14-20-15(22-21-14)11-5-7-18-8-6-11/h2-9,19H,10H2,1H3,(H,17,23)(H,20,21,22)
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| InChIKey |
MSYSXAOSMCNJKL-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