General Information of the Compound
| Compound ID |
CP0547778
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| Compound Name |
(2S)-6-ethyl-N-[(1S)-1-[5-(7-methoxyquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
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| Formula |
C32H42N4O4
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| Molecular Weight |
546.712
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| Canonical SMILES |
CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc(o2)-c2cc3cccnc3cc2OC)CC1
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| InChI |
InChI=1S/C32H42N4O4/c1-4-23(37)11-7-6-8-12-26(35-30(38)25-20-32(25)13-16-36(5-2)17-14-32)31-34-21-29(40-31)24-18-22-10-9-15-33-27(22)19-28(24)39-3/h9-10,15,18-19,21,25-26H,4-8,11-14,16-17,20H2,1-3H3,(H,35,38)/t25-,26+/m1/s1
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| InChIKey |
XRYBEZILSSFQFH-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: PT00991, Histone deacetylase 1
Protein ID: PT00835, Histone deacetylase 2
Protein ID: PT00995, Histone deacetylase 3