General Information of the Compound
| Compound ID |
CP0545902
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| Compound Name |
7-(3-aminoprop-1-ynyl)-2-cyclohexyl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
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| Structure |
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| Formula |
C26H37N5O
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| Molecular Weight |
435.616
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| Canonical SMILES |
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCN)C1CCCCC1
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| InChI |
InChI=1S/C26H37N5O/c1-18(2)31-14-11-21(12-15-31)28-26-22-17-24(32-3)20(10-7-13-27)16-23(22)29-25(30-26)19-8-5-4-6-9-19/h16-19,21H,4-6,8-9,11-15,27H2,1-3H3,(H,28,29,30)
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| InChIKey |
FEQYZGXPHHNDPQ-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