General Information of the Compound
| Compound ID |
CP0499013
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| Compound Name |
N,N-dimethyl-3-[4-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]phenoxy]benzamide
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| Structure |
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| Formula |
C23H29N5O2
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| Molecular Weight |
407.518
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| Canonical SMILES |
CNCCN(C)Cc1n[nH]cc1-c1ccc(Oc2cccc(c2)C(=O)N(C)C)cc1
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| InChI |
InChI=1S/C23H29N5O2/c1-24-12-13-28(4)16-22-21(15-25-26-22)17-8-10-19(11-9-17)30-20-7-5-6-18(14-20)23(29)27(2)3/h5-11,14-15,24H,12-13,16H2,1-4H3,(H,25,26)
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| InChIKey |
KWRBLASCKRNYTH-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