General Information of the Compound
| Compound ID |
CP0467933
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| Compound Name |
6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-[(1-methylpiperidin-4-yl)amino]-N-(4-pyrrolidin-1-ylbutyl)quinazoline-7-carboxamide
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| Structure |
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| Formula |
C30H48N8O2
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| Molecular Weight |
552.768
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| Canonical SMILES |
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C(=O)NCCCCN1CCCC1)N1CCCN(C)CC1
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| InChI |
InChI=1S/C30H48N8O2/c1-35-12-8-16-38(20-19-35)30-33-26-21-25(29(39)31-11-4-5-13-37-14-6-7-15-37)27(40-3)22-24(26)28(34-30)32-23-9-17-36(2)18-10-23/h21-23H,4-20H2,1-3H3,(H,31,39)(H,32,33,34)
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| InChIKey |
MRQMOXGQRGTYHW-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