General Information of the Compound
| Compound ID |
CP0413652
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| Compound Name |
N-(3,3-dimethylbutyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
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| Structure |
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| Formula |
C20H23N5
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| Molecular Weight |
333.439
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| Canonical SMILES |
CC(C)(C)CCNc1nc(nnc1-c1ccccc1)-c1ccccn1
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| InChI |
InChI=1S/C20H23N5/c1-20(2,3)12-14-22-19-17(15-9-5-4-6-10-15)24-25-18(23-19)16-11-7-8-13-21-16/h4-11,13H,12,14H2,1-3H3,(H,22,23,25)
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| InChIKey |
VZQQBRATUAQGEU-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