General Information of the Compound
| Compound ID |
CP0963865
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| Compound Name |
N2-(4-fluorophenyl)-N4-((2-fluoropyridin-4-yl)methyl)-N6-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 |
C21H18ClF2N7
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| Molecular Weight |
441.873
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| Canonical SMILES |
Cl.Fc1ccc(Nc2nc(NCc3ccnc(F)c3)nc(Nc3ccccc3)n2)cc1
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| InChI |
InChI=1S/C21H17F2N7.ClH/c22-15-6-8-17(9-7-15)27-21-29-19(25-13-14-10-11-24-18(23)12-14)28-20(30-21)26-16-4-2-1-3-5-16;/h1-12H,13H2,(H3,25,26,27,28,29,30);1H
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| InChIKey |
KGEZCAFACASJEO-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