General Information of the Compound
| Compound ID |
CP0448921
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| Compound Name |
N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
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| Structure |
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| Formula |
C13H17FN4
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| Molecular Weight |
248.305
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| Canonical SMILES |
CN(CCN)Cc1cn[nH]c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C13H17FN4/c1-18(7-6-15)9-11-8-16-17-13(11)10-2-4-12(14)5-3-10/h2-5,8H,6-7,9,15H2,1H3,(H,16,17)
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| InChIKey |
WJJPSVIYQWOSFK-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
Protein ID: PT02218, Protein arginine N-methyltransferase 1
Protein ID: PT02223, Protein arginine N-methyltransferase 6