General Information of the Compound
Compound ID |
CP0955940
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Compound Name |
(S)-6-ethyl-N-((S)-1-(5-(7-methoxyquinolin-6-yl)-1H-imidazol-2-yl)-7-oxononyl)-6-azaspiro[2.5]octane-1-carboxamide
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Formula |
C32H43N5O3
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Molecular Weight |
545.728
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Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc3cccnc3cc2OC)[nH]1
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InChI |
InChI=1S/C32H43N5O3/c1-4-23(38)11-7-6-8-12-26(36-31(39)25-20-32(25)13-16-37(5-2)17-14-32)30-34-21-28(35-30)24-18-22-10-9-15-33-27(22)19-29(24)40-3/h9-10,15,18-19,21,25-26H,4-8,11-14,16-17,20H2,1-3H3,(H,34,35)(H,36,39)/t25-,26+/m1/s1
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InChIKey |
QKTFKZLLNYCXES-FTJBHMTQSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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