General Information of the Compound
| Compound ID |
CP0453248
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| Compound Name |
N'-methyl-N'-[[5-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
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| Structure |
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| Formula |
C17H26N4
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| Molecular Weight |
286.423
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| Canonical SMILES |
CC(C)Cc1ccc(cc1)-c1[nH]ncc1CN(C)CCN
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| InChI |
InChI=1S/C17H26N4/c1-13(2)10-14-4-6-15(7-5-14)17-16(11-19-20-17)12-21(3)9-8-18/h4-7,11,13H,8-10,12,18H2,1-3H3,(H,19,20)
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| InChIKey |
KJHBJSSYYMWKLQ-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