General Information of the Compound
| Compound ID |
CP0919521
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| Compound Name |
N2-isopropyl-N4-(4-methoxyphenyl)-N6-phenyl-1,3,5-triazine-2,4,6-triamine hydrochloride
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| Structure |
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| Formula |
C19H23ClN6O
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| Molecular Weight |
386.887
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| Canonical SMILES |
COc1ccc(Nc2nc(Nc3ccccc3)nc(NC(C)C)n2)cc1.Cl
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| InChI |
InChI=1S/C19H22N6O.ClH/c1-13(2)20-17-23-18(21-14-7-5-4-6-8-14)25-19(24-17)22-15-9-11-16(26-3)12-10-15;/h4-13H,1-3H3,(H3,20,21,22,23,24,25);1H
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| InChIKey |
OUVFXDJWAMQQFM-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