General Information of the Compound
| Compound ID |
CP0893948
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| Compound Name |
N-isopropyl-N',N''-bis(4-methoxyphenyl)-1,3,5-triazine-1,3,5-triamine hydrochloride
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| Structure |
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| Formula |
C20H25ClN6O2
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| Molecular Weight |
416.913
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| Canonical SMILES |
COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(NC(C)C)n2)cc1.Cl
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| InChI |
InChI=1S/C20H24N6O2.ClH/c1-13(2)21-18-24-19(22-14-5-9-16(27-3)10-6-14)26-20(25-18)23-15-7-11-17(28-4)12-8-15;/h5-13H,1-4H3,(H3,21,22,23,24,25,26);1H
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| InChIKey |
VGPQJBNDABOROI-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