General Information of the Compound
| Compound ID |
CP0467918
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| Compound Name |
1-[3-[2-cyclohexyl-6-methoxy-4-[(1-propan-2-ylpiperidin-4-yl)amino]quinazolin-7-yl]prop-2-ynyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C30H41N5O2
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| Molecular Weight |
503.691
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| Canonical SMILES |
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCN1CCCC1=O)C1CCCCC1
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| InChI |
InChI=1S/C30H41N5O2/c1-21(2)34-17-13-24(14-18-34)31-30-25-20-27(37-3)23(11-7-15-35-16-8-12-28(35)36)19-26(25)32-29(33-30)22-9-5-4-6-10-22/h19-22,24H,4-6,8-10,12-18H2,1-3H3,(H,31,32,33)
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| InChIKey |
YTZXLVDHUCDBOG-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