General Information of the Compound
| Compound ID |
CP0577441
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| Compound Name |
(2S)-6-ethyl-N-[(1S)-1-[5-(7-methoxy-2-methylquinolin-6-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
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| Structure |
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| Formula |
C33H45N5O3
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| Molecular Weight |
559.755
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| Canonical SMILES |
CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2cc3ccc(C)nc3cc2OC)CC1
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| InChI |
InChI=1S/C33H45N5O3/c1-5-24(39)10-8-7-9-11-27(37-32(40)26-20-33(26)14-16-38(6-2)17-15-33)31-34-21-29(36-31)25-18-23-13-12-22(3)35-28(23)19-30(25)41-4/h12-13,18-19,21,26-27H,5-11,14-17,20H2,1-4H3,(H,34,36)(H,37,40)/t26-,27+/m1/s1
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| InChIKey |
BBRYNDYUWCVFAV-SXOMAYOGSA-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