General Information of the Compound
| Compound ID |
CP0529734
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| Compound Name |
6-methoxy-7-[3-(methylamino)prop-1-ynyl]-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 |
CNCC#Cc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
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| InChI |
InChI=1S/C25H37N7O/c1-26-10-5-7-19-17-22-21(18-23(19)33-4)24(27-20-8-13-31(3)14-9-20)29-25(28-22)32-12-6-11-30(2)15-16-32/h17-18,20,26H,6,8-16H2,1-4H3,(H,27,28,29)
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| InChIKey |
JIPXEHIHQRXFCZ-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