General Information of the Compound
| Compound ID |
CP0960112
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| Compound Name |
N2,N4-bis(4-fluorophenyl)-N6-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine dihydrochloride
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| Structure |
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| Formula |
C21H19Cl2F2N7
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| Molecular Weight |
478.334
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| Canonical SMILES |
Cl.Cl.Fc1ccc(Nc2nc(NCc3ccncc3)nc(Nc3ccc(F)cc3)n2)cc1
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| InChI |
InChI=1S/C21H17F2N7.2ClH/c22-15-1-5-17(6-2-15)26-20-28-19(25-13-14-9-11-24-12-10-14)29-21(30-20)27-18-7-3-16(23)4-8-18;;/h1-12H,13H2,(H3,25,26,27,28,29,30);2*1H
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| InChIKey |
XCZNDDDKPSNOCE-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