General Information of the Compound
| Compound ID |
CP0404011
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| Compound Name |
N-[3-[[(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]phenyl]-N'-hydroxyhexanediamide
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| Structure |
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| Formula |
C33H35N3O10
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| Molecular Weight |
633.654
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| Canonical SMILES |
COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2cccc(NC(=O)CCCCC(=O)NO)c2)c2cc3OCOc3cc12
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| InChI |
InChI=1S/C33H35N3O10/c1-42-25-10-17(11-26(43-2)32(25)39)29-20-13-23-24(46-16-45-23)14-21(20)31(22-15-44-33(40)30(22)29)35-19-7-5-6-18(12-19)34-27(37)8-3-4-9-28(38)36-41/h5-7,10-14,22,29-31,35,39,41H,3-4,8-9,15-16H2,1-2H3,(H,34,37)(H,36,38)/t22-,29+,30-,31+/m0/s1
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| InChIKey |
DJNOJHKLQULBBK-AOVYYMIUSA-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