General Information of the Compound
| Compound ID |
CP0543657
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| Compound Name |
(2S)-N-[(1S)-1-[5-(2-ethylquinolin-6-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
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| Formula |
C32H43N5O2
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| Molecular Weight |
529.729
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2nc(CC)ccc2c1
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| InChI |
InChI=1S/C32H43N5O2/c1-4-24-13-11-22-19-23(12-14-27(22)34-24)29-21-33-30(35-29)28(10-8-6-7-9-25(38)5-2)36-31(39)26-20-32(26)15-17-37(3)18-16-32/h11-14,19,21,26,28H,4-10,15-18,20H2,1-3H3,(H,33,35)(H,36,39)/t26-,28+/m1/s1
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| InChIKey |
YMGFKZMMMPLPMK-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