General Information of the Compound
Compound ID
CP0390207
Compound Name
ethyl 2-[4-[6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]phenoxy]acetate
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Structure
Formula
C23H24O6
Molecular Weight
396.439
Canonical SMILES
CCOC(=O)COc1ccc(cc1)-c1cc2cc3CC(Oc3cc2o1)C(C)(C)O
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InChI
InChI=1S/C23H24O6/c1-4-26-22(24)13-27-17-7-5-14(6-8-17)18-10-15-9-16-11-21(23(2,3)25)29-20(16)12-19(15)28-18/h5-10,12,21,25H,4,11,13H2,1-3H3
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InChIKey
UOZFNORMCSDERU-UHFFFAOYSA-N
Physicochemical Property
logP
4.1161
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
78.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
29

"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).

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PubChem ID
CID: 53306271
SID: 124763823
ChEMBL ID
CHEMBL1795436
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02791, Hypoxia-inducible factor 1-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000273 Hep 3B2.1-7 Homo sapiens (Human)  1
1
IC50 = 54 nM
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   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000273 Hep 3B2.1-7 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS