General Information of the Compound
| Compound ID |
CP0382294
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| Compound Name |
N'-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine
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| Structure |
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| Formula |
C17H22ClF3N4O
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| Molecular Weight |
390.837
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| Canonical SMILES |
CC(C)Oc1c(Cl)cc(cc1C(F)(F)F)-c1c[nH]nc1CN(C)CCN
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| InChI |
InChI=1S/C17H22ClF3N4O/c1-10(2)26-16-13(17(19,20)21)6-11(7-14(16)18)12-8-23-24-15(12)9-25(3)5-4-22/h6-8,10H,4-5,9,22H2,1-3H3,(H,23,24)
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| InChIKey |
YOCSLRCPVKLWMS-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