General Information of the Compound
| Compound ID |
CP0513236
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| Compound Name |
6-phenyl-3-pyridin-2-yl-N-(2-pyridin-2-ylethyl)-1,2,4-triazin-5-amine
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| Structure |
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| Formula |
C21H18N6
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| Molecular Weight |
354.417
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| Canonical SMILES |
C(Cc1ccccn1)Nc1nc(nnc1-c1ccccc1)-c1ccccn1
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| InChI |
InChI=1S/C21H18N6/c1-2-8-16(9-3-1)19-21(24-15-12-17-10-4-6-13-22-17)25-20(27-26-19)18-11-5-7-14-23-18/h1-11,13-14H,12,15H2,(H,24,25,27)
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| InChIKey |
VLQJUAAEOYNRNR-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