General Information of the Compound
| Compound ID |
CP0873454
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| Compound Name |
4-methyl-2-(3-(4-((methyl(2-(methylamino)ethyl)amino)methyl)-1H-pyrazol-5-yl)-5-(trifluoromethyl)phenoxy)pentan-1-ol
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| Structure |
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| Formula |
C21H31F3N4O2
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| Molecular Weight |
428.499
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| Canonical SMILES |
CNCCN(C)Cc1cn[nH]c1-c1cc(OC(CO)CC(C)C)cc(C(F)(F)F)c1
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| InChI |
InChI=1S/C21H31F3N4O2/c1-14(2)7-19(13-29)30-18-9-15(8-17(10-18)21(22,23)24)20-16(11-26-27-20)12-28(4)6-5-25-3/h8-11,14,19,25,29H,5-7,12-13H2,1-4H3,(H,26,27)
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| InChIKey |
FYZDIUPNFFHKJM-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