General Information of the Compound
| Compound ID |
CP0474261
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| Compound Name |
1-[3-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]propyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C28H43N7O2
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| Molecular Weight |
509.699
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| Canonical SMILES |
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCCN1CCCC1=O)N1CCCN(C)CC1
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| InChI |
InChI=1S/C28H43N7O2/c1-32-11-6-14-35(18-17-32)28-30-24-19-21(7-4-12-34-13-5-8-26(34)36)25(37-3)20-23(24)27(31-28)29-22-9-15-33(2)16-10-22/h19-20,22H,4-18H2,1-3H3,(H,29,30,31)
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| InChIKey |
VAAQORJZPYRYHH-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