General Information of the Compound
| Compound ID |
CP0579557
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| Compound Name |
(2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyrazin-2-ylphenyl)-1H-imidazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide
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| Structure |
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| Formula |
C31H40N6O2
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| Molecular Weight |
528.701
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc(cc1)-c1cnccn1
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| InChI |
InChI=1S/C31H40N6O2/c1-3-24(38)7-5-4-6-8-26(36-30(39)25-19-31(25)13-17-37(2)18-14-31)29-34-21-28(35-29)23-11-9-22(10-12-23)27-20-32-15-16-33-27/h9-12,15-16,20-21,25-26H,3-8,13-14,17-19H2,1-2H3,(H,34,35)(H,36,39)/t25-,26+/m1/s1
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| InChIKey |
DDCDBKDXBVPBNH-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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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