General Information of the Compound
| Compound ID |
CP0531057
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| Compound Name |
N-(4-aminobutyl)-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-[(1-methylpiperidin-4-yl)amino]quinazoline-7-carboxamide
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| Structure |
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| Formula |
C26H42N8O2
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| Molecular Weight |
498.676
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| Canonical SMILES |
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C(=O)NCCCCN)N1CCCN(C)CC1
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| InChI |
InChI=1S/C26H42N8O2/c1-32-11-6-12-34(16-15-32)26-30-22-17-21(25(35)28-10-5-4-9-27)23(36-3)18-20(22)24(31-26)29-19-7-13-33(2)14-8-19/h17-19H,4-16,27H2,1-3H3,(H,28,35)(H,29,30,31)
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| InChIKey |
UKERGKMDPFSQSS-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: PT02221, Histone-lysine N-methyltransferase EHMT1
Protein ID: PT01566, Histone-lysine N-methyltransferase EHMT2