General Information of the Compound
| Compound ID |
CP0279103
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| Compound Name |
N-[(4-tert-butylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
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| Structure |
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| Formula |
C25H25N5
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| Molecular Weight |
395.51
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| Canonical SMILES |
CC(C)(C)c1ccc(CNc2nc(nnc2-c2ccccc2)-c2ccccn2)cc1
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| InChI |
InChI=1S/C25H25N5/c1-25(2,3)20-14-12-18(13-15-20)17-27-24-22(19-9-5-4-6-10-19)29-30-23(28-24)21-11-7-8-16-26-21/h4-16H,17H2,1-3H3,(H,27,28,30)
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| InChIKey |
SKLXOVZCZWTTRY-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