General Information of the Compound
| Compound ID |
CP0389088
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| Compound Name |
6-[4-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenoxy]-N-hydroxyhexanamide
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| Structure |
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| Formula |
C33H36N2O10
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| Molecular Weight |
620.655
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| Canonical SMILES |
COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccc(OCCCCCC(=O)NO)cc2)c2cc3OCOc3cc12
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| InChI |
InChI=1S/C33H36N2O10/c1-40-26-12-18(13-27(41-2)32(26)37)29-21-14-24-25(45-17-44-24)15-22(21)31(23-16-43-33(38)30(23)29)34-19-7-9-20(10-8-19)42-11-5-3-4-6-28(36)35-39/h7-10,12-15,23,29-31,34,37,39H,3-6,11,16-17H2,1-2H3,(H,35,36)/t23-,29+,30-,31+/m0/s1
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| InChIKey |
BBHRSVZELVEQMJ-TYDXHICZSA-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: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6