General Information of the Compound
| Compound ID |
CP0913897
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| Compound Name |
N-(4-fluorophenyl)-N'-isopropyl-N''-phenyl-1,3,5-triazine-2,4,6-triamine hydrochloride
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| Structure |
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| Formula |
C18H20ClFN6
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| Molecular Weight |
374.851
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| Canonical SMILES |
CC(C)Nc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1.Cl
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| InChI |
InChI=1S/C18H19FN6.ClH/c1-12(2)20-16-23-17(21-14-6-4-3-5-7-14)25-18(24-16)22-15-10-8-13(19)9-11-15;/h3-12H,1-2H3,(H3,20,21,22,23,24,25);1H
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| InChIKey |
UIMQZPXNEUOGMI-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