General Information of the Compound
| Compound ID |
CP0911471
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| Compound Name |
N-(4-fluorophenyl)-N'-[(2-fluoro-4-pyridyl)methyl]-N'-phenyl-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.Nc1nc(Nc2ccc(F)cc2)nc(N(Cc2ccnc(F)c2)c2ccccc2)n1
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| InChI |
InChI=1S/C21H17F2N7.ClH/c22-15-6-8-16(9-7-15)26-20-27-19(24)28-21(29-20)30(17-4-2-1-3-5-17)13-14-10-11-25-18(23)12-14;/h1-12H,13H2,(H3,24,26,27,28,29);1H
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| InChIKey |
HOQOGZFFYHYEDO-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