General Information of the Compound
| Compound ID |
CP0428504
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| Compound Name |
1-[4-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]piperazin-1-yl]-2-phenylethanone
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| Structure |
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| Formula |
C25H32N6O
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| Molecular Weight |
432.572
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| Canonical SMILES |
CN(CCN)Cc1c[nH]nc1-c1ccc(cc1)N1CCN(CC1)C(=O)Cc1ccccc1
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| InChI |
InChI=1S/C25H32N6O/c1-29(12-11-26)19-22-18-27-28-25(22)21-7-9-23(10-8-21)30-13-15-31(16-14-30)24(32)17-20-5-3-2-4-6-20/h2-10,18H,11-17,19,26H2,1H3,(H,27,28)
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| InChIKey |
ORUDTJGTLCZELU-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