General Information of the Compound
| Compound ID |
CP0519257
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| Compound Name |
N-(2-aminoethyl)-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-[(1-methylpiperidin-4-yl)amino]quinazoline-7-carboxamide
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| Structure |
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| Formula |
C24H38N8O2
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| Molecular Weight |
470.622
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| Canonical SMILES |
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C(=O)NCCN)N1CCCN(C)CC1
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| InChI |
InChI=1S/C24H38N8O2/c1-30-9-4-10-32(14-13-30)24-28-20-15-19(23(33)26-8-7-25)21(34-3)16-18(20)22(29-24)27-17-5-11-31(2)12-6-17/h15-17H,4-14,25H2,1-3H3,(H,26,33)(H,27,28,29)
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| InChIKey |
RREOROQINGLNKF-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