General Information of the Compound
| Compound ID |
CP0545442
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| Compound Name |
(2S)-N-[(1S)-1-(5-cinnolin-6-yl-1H-imidazol-2-yl)-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
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| Structure |
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| Formula |
C29H38N6O2
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| Molecular Weight |
502.663
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2nnccc2c1
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| InChI |
InChI=1S/C29H38N6O2/c1-3-22(36)7-5-4-6-8-25(33-28(37)23-18-29(23)12-15-35(2)16-13-29)27-30-19-26(32-27)20-9-10-24-21(17-20)11-14-31-34-24/h9-11,14,17,19,23,25H,3-8,12-13,15-16,18H2,1-2H3,(H,30,32)(H,33,37)/t23-,25+/m1/s1
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| InChIKey |
UUFQKZKLIQHUQX-NOZRDPDXSA-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: PT00835, Histone deacetylase 2
Protein ID: PT00995, Histone deacetylase 3