General Information of the Compound
| Compound ID |
CP0474255
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| Compound Name |
3-amino-N-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]propanamide
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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(nc2cc1NC(=O)CCN)N1CCCN(C)CC1
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| InChI |
InChI=1S/C24H38N8O2/c1-30-9-4-10-32(14-13-30)24-28-19-16-20(27-22(33)5-8-25)21(34-3)15-18(19)23(29-24)26-17-6-11-31(2)12-7-17/h15-17H,4-14,25H2,1-3H3,(H,27,33)(H,26,28,29)
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| InChIKey |
RBBZOCOZIYNTCM-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