General Information of the Compound
| Compound ID |
CP0453247
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| Compound Name |
N'-[[5-[3-(2-cyclohexylethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
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| Structure |
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| Formula |
C23H33F3N4O
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| Molecular Weight |
438.538
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| Canonical SMILES |
CNCCN(C)Cc1cn[nH]c1-c1cc(OCCC2CCCCC2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H33F3N4O/c1-27-9-10-30(2)16-19-15-28-29-22(19)18-12-20(23(24,25)26)14-21(13-18)31-11-8-17-6-4-3-5-7-17/h12-15,17,27H,3-11,16H2,1-2H3,(H,28,29)
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| InChIKey |
GJDVMSRIXJKBKJ-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