General Information of the Compound
| Compound ID |
CP0467931
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| Compound Name |
2-[3-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]propyl-methylamino]ethanol
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| Structure |
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| Formula |
C27H45N7O2
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| Molecular Weight |
499.704
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| Canonical SMILES |
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCCN(C)CCO)N1CCCN(C)CC1
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| InChI |
InChI=1S/C27H45N7O2/c1-31-11-6-12-34(16-15-31)27-29-24-19-21(7-5-10-32(2)17-18-35)25(36-4)20-23(24)26(30-27)28-22-8-13-33(3)14-9-22/h19-20,22,35H,5-18H2,1-4H3,(H,28,29,30)
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| InChIKey |
AUFSXIYCIRDGIZ-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