General Information of the Compound
| Compound ID |
CP0577443
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| Compound Name |
(2S)-6-ethyl-N-[(1S)-1-[5-(2-ethyl-7-methoxy-1-oxoisoquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
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| Formula |
C34H46N4O5
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| Molecular Weight |
590.765
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| Canonical SMILES |
CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc(o2)-c2cc3ccn(CC)c(=O)c3cc2OC)CC1
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| InChI |
InChI=1S/C34H46N4O5/c1-5-24(39)11-9-8-10-12-28(36-31(40)27-21-34(27)14-17-37(6-2)18-15-34)32-35-22-30(43-32)26-19-23-13-16-38(7-3)33(41)25(23)20-29(26)42-4/h13,16,19-20,22,27-28H,5-12,14-15,17-18,21H2,1-4H3,(H,36,40)/t27-,28+/m1/s1
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| InChIKey |
AQPHGJHVSVYQGD-IZLXSDGUSA-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