General Information of the Compound
| Compound ID |
CP0543661
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| Compound Name |
(2S)-6-ethyl-N-[(1S)-1-[5-(7-methoxy-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
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| Formula |
C33H44N4O4
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| Molecular Weight |
560.739
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| Canonical SMILES |
CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc(o2)-c2cc3ccc(C)nc3cc2OC)CC1
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| InChI |
InChI=1S/C33H44N4O4/c1-5-24(38)10-8-7-9-11-27(36-31(39)26-20-33(26)14-16-37(6-2)17-15-33)32-34-21-30(41-32)25-18-23-13-12-22(3)35-28(23)19-29(25)40-4/h12-13,18-19,21,26-27H,5-11,14-17,20H2,1-4H3,(H,36,39)/t26-,27+/m1/s1
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| InChIKey |
FXPADAPJDQKKIW-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