General Information of the Compound
| Compound ID |
CP0539655
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| Compound Name |
N-methyl-2-[4-[5-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-4-yl]phenoxy]benzamide
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| Structure |
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| Formula |
C22H27N5O2
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| Molecular Weight |
393.491
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| Canonical SMILES |
CNCCN(C)Cc1n[nH]cc1-c1ccc(Oc2ccccc2C(=O)NC)cc1
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| InChI |
InChI=1S/C22H27N5O2/c1-23-12-13-27(3)15-20-19(14-25-26-20)16-8-10-17(11-9-16)29-21-7-5-4-6-18(21)22(28)24-2/h4-11,14,23H,12-13,15H2,1-3H3,(H,24,28)(H,25,26)
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| InChIKey |
LIVCXRSDQOQURR-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