General Information of the Compound
| Compound ID |
CP0474259
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| Compound Name |
N-[3-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]prop-2-ynyl]acetamide
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| Structure |
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| Formula |
C26H37N7O2
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| Molecular Weight |
479.629
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| Canonical SMILES |
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C#CCNC(C)=O)N1CCCN(C)CC1
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| InChI |
InChI=1S/C26H37N7O2/c1-19(34)27-10-5-7-20-17-23-22(18-24(20)35-4)25(28-21-8-13-32(3)14-9-21)30-26(29-23)33-12-6-11-31(2)15-16-33/h17-18,21H,6,8-16H2,1-4H3,(H,27,34)(H,28,29,30)
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| InChIKey |
ZVPBVRYEOGHQDY-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