General Information of the Compound
| Compound ID |
CP0545443
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| Compound Name |
(2S)-6-ethyl-N-[(1S)-7-oxo-1-[5-(2-oxo-6-phenyl-1H-pyridin-3-yl)-1H-imidazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide
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| Formula |
C33H43N5O3
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| Molecular Weight |
557.739
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| Canonical SMILES |
CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2ccc([nH]c2=O)-c2ccccc2)CC1
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| InChI |
InChI=1S/C33H43N5O3/c1-3-24(39)13-9-6-10-14-28(37-32(41)26-21-33(26)17-19-38(4-2)20-18-33)30-34-22-29(35-30)25-15-16-27(36-31(25)40)23-11-7-5-8-12-23/h5,7-8,11-12,15-16,22,26,28H,3-4,6,9-10,13-14,17-21H2,1-2H3,(H,34,35)(H,36,40)(H,37,41)/t26-,28+/m1/s1
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| InChIKey |
SOGLRFYVWLNDOX-IAPPQJPRSA-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