General Information of the Compound
| Compound ID |
CP0467929
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| Compound Name |
1-(3-aminopropyl)-3-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]urea
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| Structure |
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| Formula |
C25H41N9O2
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| Molecular Weight |
499.664
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| Canonical SMILES |
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1NC(=O)NCCCN)N1CCCN(C)CC1
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| InChI |
InChI=1S/C25H41N9O2/c1-32-10-5-11-34(15-14-32)24-29-20-17-21(30-25(35)27-9-4-8-26)22(36-3)16-19(20)23(31-24)28-18-6-12-33(2)13-7-18/h16-18H,4-15,26H2,1-3H3,(H2,27,30,35)(H,28,29,31)
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| InChIKey |
CUXOFABLNDVFGR-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