General Information of the Compound
| Compound ID |
CP0951202
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| Compound Name |
(S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl)hexyl)-1-methylazetidine-3-carboxamide
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| Formula |
C24H31N5O2
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| Molecular Weight |
421.545
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| Canonical SMILES |
CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2cc3ccccc3nc2OC)[nH]1
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| InChI |
InChI=1S/C24H31N5O2/c1-4-5-6-11-20(27-23(30)17-14-29(2)15-17)22-25-13-21(26-22)18-12-16-9-7-8-10-19(16)28-24(18)31-3/h7-10,12-13,17,20H,4-6,11,14-15H2,1-3H3,(H,25,26)(H,27,30)/t20-/m0/s1
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| InChIKey |
LYTNPEBJVDYJIY-FQEVSTJZSA-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: PT00991, Histone deacetylase 1
Protein ID: PT00835, Histone deacetylase 2
Protein ID: PT00995, Histone deacetylase 3