General Information of the Compound
| Compound ID |
CP0578924
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| Compound Name |
(2S)-6-ethyl-N-[(1S)-1-(5-isoquinolin-7-yl-1H-imidazol-2-yl)-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
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| Formula |
C31H41N5O2
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| Molecular Weight |
515.702
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| Canonical SMILES |
CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2ccc3ccncc3c2)CC1
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| InChI |
InChI=1S/C31H41N5O2/c1-3-25(37)8-6-5-7-9-27(35-30(38)26-19-31(26)13-16-36(4-2)17-14-31)29-33-21-28(34-29)23-11-10-22-12-15-32-20-24(22)18-23/h10-12,15,18,20-21,26-27H,3-9,13-14,16-17,19H2,1-2H3,(H,33,34)(H,35,38)/t26-,27+/m1/s1
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| InChIKey |
LFKMEUIGEGSJAQ-SXOMAYOGSA-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