General Information of the Compound
| Compound ID |
CP0467932
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| Compound Name |
7-(4-aminobut-1-ynyl)-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 |
C25H37N7O
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| Molecular Weight |
451.619
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| Canonical SMILES |
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C#CCCN)N1CCCN(C)CC1
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| InChI |
InChI=1S/C25H37N7O/c1-30-11-6-12-32(16-15-30)25-28-22-17-19(7-4-5-10-26)23(33-3)18-21(22)24(29-25)27-20-8-13-31(2)14-9-20/h17-18,20H,5-6,8-16,26H2,1-3H3,(H,27,28,29)
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| InChIKey |
FNKMWVAWPMHKHA-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