General Information of the Compound
| Compound ID |
CP0967414
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| Compound Name |
N2-(4-fluorophenyl)-N4-(furan-2-ylmethyl)-N6-phenyl-1,3,5-triazine-2,4,6-triamine hydrochloride
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| Structure |
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| Formula |
C20H18ClFN6O
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| Molecular Weight |
412.856
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| Canonical SMILES |
Cl.Fc1ccc(Nc2nc(NCc3ccco3)nc(Nc3ccccc3)n2)cc1
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| InChI |
InChI=1S/C20H17FN6O.ClH/c21-14-8-10-16(11-9-14)24-20-26-18(22-13-17-7-4-12-28-17)25-19(27-20)23-15-5-2-1-3-6-15;/h1-12H,13H2,(H3,22,23,24,25,26,27);1H
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| InChIKey |
NUQUVMFNFIWMHE-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