General Information of the Compound
| Compound ID |
CP0467923
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| Compound Name |
N-[2-(dimethylamino)ethyl]-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)NCCN(C)C)N1CCCN(C)CC1
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| InChI |
InChI=1S/C26H42N8O2/c1-31(2)14-9-27-25(35)21-17-22-20(18-23(21)36-5)24(28-19-7-12-33(4)13-8-19)30-26(29-22)34-11-6-10-32(3)15-16-34/h17-19H,6-16H2,1-5H3,(H,27,35)(H,28,29,30)
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| InChIKey |
MRQZTKGSYBNYQE-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