General Information of the Compound
| Compound ID |
CP0467926
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| Compound Name |
2-cyclohexyl-7-[3-(dimethylamino)propyl]-6-fluoro-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
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| Structure |
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| Formula |
C27H42FN5
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| Molecular Weight |
455.666
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| Canonical SMILES |
CC(C)N1CCC(CC1)Nc1nc(nc2cc(CCCN(C)C)c(F)cc12)C1CCCCC1
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| InChI |
InChI=1S/C27H42FN5/c1-19(2)33-15-12-22(13-16-33)29-27-23-18-24(28)21(11-8-14-32(3)4)17-25(23)30-26(31-27)20-9-6-5-7-10-20/h17-20,22H,5-16H2,1-4H3,(H,29,30,31)
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| InChIKey |
USPDNWUINOEKLO-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