General Information of the Compound
| Compound ID |
CP0864322
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| Compound Name |
N-[(6-aminopyridin-2-yl)methyl]-N'-(4-fluorophenyl)-N''-phenyl-1,3,5-triazine-2,4,6-triamine dihydrochloride
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| Structure |
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| Formula |
C21H21Cl2FN8
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| Molecular Weight |
475.359
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| Canonical SMILES |
Cl.Cl.Nc1cccc(CNc2nc(Nc3ccccc3)nc(Nc3ccc(F)cc3)n2)n1
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| InChI |
InChI=1S/C21H19FN8.2ClH/c22-14-9-11-16(12-10-14)27-21-29-19(24-13-17-7-4-8-18(23)25-17)28-20(30-21)26-15-5-2-1-3-6-15;;/h1-12H,13H2,(H2,23,25)(H3,24,26,27,28,29,30);2*1H
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| InChIKey |
BCVVOXLQDUWGDS-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