General Information of the Compound
| Compound ID |
CP0943868
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| Compound Name |
N2-(4-fluorophenyl)-N4-((2-fluoropyridin-4-yl)methyl)-N6-(3-methoxyphenyl)-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 |
C22H20ClF2N7O
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| Molecular Weight |
471.899
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| Canonical SMILES |
COc1cccc(Nc2nc(NCc3ccnc(F)c3)nc(Nc3ccc(F)cc3)n2)c1.Cl
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| InChI |
InChI=1S/C22H19F2N7O.ClH/c1-32-18-4-2-3-17(12-18)28-22-30-20(26-13-14-9-10-25-19(24)11-14)29-21(31-22)27-16-7-5-15(23)6-8-16;/h2-12H,13H2,1H3,(H3,26,27,28,29,30,31);1H
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| InChIKey |
CVXULBMOLJHIMS-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