General Information of the Compound
| Compound ID |
CP0579552
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| Compound Name |
(2S)-N-[(1S)-1-[5-(2-cyclopropyl-7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-(cyclopropylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
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| Structure |
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| Formula |
C37H49N5O3
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| Molecular Weight |
611.831
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(CC2CC2)CC1)c1ncc([nH]1)-c1cc2ccc(nc2cc1OC)C1CC1
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| InChI |
InChI=1S/C37H49N5O3/c1-3-27(43)7-5-4-6-8-31(41-36(44)29-21-37(29)15-17-42(18-16-37)23-24-9-10-24)35-38-22-33(40-35)28-19-26-13-14-30(25-11-12-25)39-32(26)20-34(28)45-2/h13-14,19-20,22,24-25,29,31H,3-12,15-18,21,23H2,1-2H3,(H,38,40)(H,41,44)/t29-,31+/m1/s1
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| InChIKey |
DWSUDVIZAAHXQY-VEEOACQBSA-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