General Information of the Compound
Compound ID
CP0424974
Compound Name
2-[2-(4-phenylmethoxyphenyl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol
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Structure
Formula
C26H24O4
Molecular Weight
400.474
Canonical SMILES
CC(C)(O)C1Cc2cc3cc(oc3cc2O1)-c1ccc(OCc2ccccc2)cc1
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InChI
InChI=1S/C26H24O4/c1-26(2,27)25-14-20-12-19-13-22(29-23(19)15-24(20)30-25)18-8-10-21(11-9-18)28-16-17-6-4-3-5-7-17/h3-13,15,25,27H,14,16H2,1-2H3
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InChIKey
BDFFMMOXMREZKQ-UHFFFAOYSA-N
Physicochemical Property
logP
5.7532
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
51.83
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 53306433
SID: 124763984
ChEMBL ID
CHEMBL1795437
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 = 490 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