General Information of the Compound
| Compound ID |
CP0638821
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| Compound Name |
(S)-7-amino-7-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl)-1-(1H-pyrazol-3-yl)heptan-1-one
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| Structure |
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| Formula |
C23H26N6O2
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| Molecular Weight |
418.501
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| Canonical SMILES |
COc1nc2ccccc2cc1-c1cnc([C@@H](N)CCCCCC(=O)c2cc[nH]n2)[nH]1
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| InChI |
InChI=1S/C23H26N6O2/c1-31-23-16(13-15-7-5-6-9-18(15)28-23)20-14-25-22(27-20)17(24)8-3-2-4-10-21(30)19-11-12-26-29-19/h5-7,9,11-14,17H,2-4,8,10,24H2,1H3,(H,25,27)(H,26,29)/t17-/m0/s1
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| InChIKey |
UKNPNNJYGOJZRO-KRWDZBQOSA-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