General Information of the Compound
| Compound ID |
CP0519252
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| Compound Name |
2-cyclohexyl-6-fluoro-7-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
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| Structure |
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| Formula |
C27H41FN6
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| Molecular Weight |
468.665
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| Canonical SMILES |
CC(C)N1CCC(CC1)Nc1nc(nc2cc(N3CCN(C)CC3)c(F)cc12)C1CCCCC1
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| InChI |
InChI=1S/C27H41FN6/c1-19(2)33-11-9-21(10-12-33)29-27-22-17-23(28)25(34-15-13-32(3)14-16-34)18-24(22)30-26(31-27)20-7-5-4-6-8-20/h17-21H,4-16H2,1-3H3,(H,29,30,31)
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| InChIKey |
LKNCEFIPICJUQM-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