General Information of the Compound
| Compound ID |
CP0529721
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| Compound Name |
[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]-piperazin-1-ylmethanone
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| Structure |
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| Formula |
C26H40N8O2
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| Molecular Weight |
496.66
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| Canonical SMILES |
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C(=O)N1CCNCC1)N1CCCN(C)CC1
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| InChI |
InChI=1S/C26H40N8O2/c1-31-9-4-10-34(16-15-31)26-29-22-17-21(25(35)33-13-7-27-8-14-33)23(36-3)18-20(22)24(30-26)28-19-5-11-32(2)12-6-19/h17-19,27H,4-16H2,1-3H3,(H,28,29,30)
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| InChIKey |
MCOWNBFUINVFOJ-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