General Information of the Compound
| Compound ID |
CP0420753
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| Compound Name |
CHEMBL4542928
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| Formula |
C25H33N5O
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| Molecular Weight |
419.573
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| Canonical SMILES |
CCCCCCN(C)CCc1ccc(cc1)-c1[nH]c2c(cnn2c(=O)c1C(C)C)C#N
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| InChI |
InChI=1S/C25H33N5O/c1-5-6-7-8-14-29(4)15-13-19-9-11-20(12-10-19)23-22(18(2)3)25(31)30-24(28-23)21(16-26)17-27-30/h9-12,17-18,28H,5-8,13-15H2,1-4H3
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| InChIKey |
MZLRXFKOAWCNNY-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: PT02548, Histone lysine demethylase PHF8
Protein ID: PT02237, Lysine-specific demethylase 2A
Protein ID: PT02614, Lysine-specific demethylase 3A
Protein ID: PT02613, Lysine-specific demethylase 5A
Protein ID: PT03382, Lysine-specific demethylase 5B
Protein ID: PT03543, Lysine-specific demethylase 5C
Protein ID: PT03383, Lysine-specific demethylase 6B