General Information of the Compound
| Compound ID |
CP0902690
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| Compound Name |
N2-isopropyl-N4-phenyl-N6-(4-(trifluoromethyl)phenyl)-1,3,5-triazine-2,4,6-triamine N2-isopropyl-N4,N6-bis(3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine hydrochloride
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| Structure |
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| Formula |
C19H20ClF3N6
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| Molecular Weight |
424.858
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| Canonical SMILES |
CC(C)Nc1nc(Nc2ccccc2)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cl
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| InChI |
InChI=1S/C19H19F3N6.ClH/c1-12(2)23-16-26-17(24-14-6-4-3-5-7-14)28-18(27-16)25-15-10-8-13(9-11-15)19(20,21)22;/h3-12H,1-2H3,(H3,23,24,25,26,27,28);1H
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| InChIKey |
NHMVDMUKAYRAAS-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