General Information of the Compound
| Compound ID |
CP0638862
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| Compound Name |
(S)-7-amino-7-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl)-1-(5-methylisoxazol-4-yl)heptan-1-one
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| Structure |
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| Formula |
C24H27N5O3
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| Molecular Weight |
433.512
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| Canonical SMILES |
COc1nc2ccccc2cc1-c1cnc([C@@H](N)CCCCCC(=O)c2cnoc2C)[nH]1
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| InChI |
InChI=1S/C24H27N5O3/c1-15-18(13-27-32-15)22(30)11-5-3-4-9-19(25)23-26-14-21(28-23)17-12-16-8-6-7-10-20(16)29-24(17)31-2/h6-8,10,12-14,19H,3-5,9,11,25H2,1-2H3,(H,26,28)/t19-/m0/s1
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| InChIKey |
RVTQYDDCOIFTGY-IBGZPJMESA-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