General Information of the Compound
| Compound ID |
CP0531054
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| Compound Name |
6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-propylquinazolin-4-amine
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| Structure |
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| Formula |
C24H38N6O
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| Molecular Weight |
426.609
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| Canonical SMILES |
CCCc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
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| InChI |
InChI=1S/C24H38N6O/c1-5-7-18-16-21-20(17-22(18)31-4)23(25-19-8-12-29(3)13-9-19)27-24(26-21)30-11-6-10-28(2)14-15-30/h16-17,19H,5-15H2,1-4H3,(H,25,26,27)
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| InChIKey |
XHNPKMDSCAGNNN-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