General Information of the Compound
| Compound ID |
CP0514514
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| Compound Name |
N-[(3-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
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| Structure |
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| Formula |
C22H19N5O
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| Molecular Weight |
369.428
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| Canonical SMILES |
COc1cccc(CNc2nc(nnc2-c2ccccc2)-c2ccccn2)c1
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| InChI |
InChI=1S/C22H19N5O/c1-28-18-11-7-8-16(14-18)15-24-22-20(17-9-3-2-4-10-17)26-27-21(25-22)19-12-5-6-13-23-19/h2-14H,15H2,1H3,(H,24,25,27)
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| InChIKey |
ILPKDJDZIKMYPJ-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