General Information of the Compound
| Compound ID |
CP0911453
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| Compound Name |
N2-(4-fluorobenzyl)-N4,N6-diphenyl-1,3,5-triazine-2,4,6-triamine hydrochloride
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| Structure |
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| Formula |
C22H20ClFN6
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| Molecular Weight |
422.895
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| Canonical SMILES |
Cl.Fc1ccc(CNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1
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| InChI |
InChI=1S/C22H19FN6.ClH/c23-17-13-11-16(12-14-17)15-24-20-27-21(25-18-7-3-1-4-8-18)29-22(28-20)26-19-9-5-2-6-10-19;/h1-14H,15H2,(H3,24,25,26,27,28,29);1H
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| InChIKey |
FQSNTLIOAOOIDU-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