General Information of the Compound
| Compound ID |
CP0579476
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| Compound Name |
(2S)-N-[(1S)-1-[5-(7-methoxy-2-methylquinolin-6-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
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| Formula |
C32H43N5O3
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| Molecular Weight |
545.728
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cc2ccc(C)nc2cc1OC
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| InChI |
InChI=1S/C32H43N5O3/c1-5-23(38)9-7-6-8-10-26(36-31(39)25-19-32(25)13-15-37(3)16-14-32)30-33-20-28(35-30)24-17-22-12-11-21(2)34-27(22)18-29(24)40-4/h11-12,17-18,20,25-26H,5-10,13-16,19H2,1-4H3,(H,33,35)(H,36,39)/t25-,26+/m1/s1
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| InChIKey |
ATMXJCYXICJPMG-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