General Information of the Compound
| Compound ID |
CP0467919
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| Compound Name |
7-(1-ethylpiperidin-4-yl)-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
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| Structure |
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| Formula |
C28H45N7O
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| Molecular Weight |
495.716
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| Canonical SMILES |
CCN1CCC(CC1)c1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
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| InChI |
InChI=1S/C28H45N7O/c1-5-34-15-7-21(8-16-34)23-19-25-24(20-26(23)36-4)27(29-22-9-13-33(3)14-10-22)31-28(30-25)35-12-6-11-32(2)17-18-35/h19-22H,5-18H2,1-4H3,(H,29,30,31)
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| InChIKey |
GWCXSYHLYREIAK-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