General Information of the Compound
Compound ID
CP0378272
Compound Name
2-[2-(3-methoxyphenyl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol
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Structure
Formula
C20H20O4
Molecular Weight
324.376
Canonical SMILES
COc1cccc(c1)-c1cc2cc3CC(Oc3cc2o1)C(C)(C)O
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InChI
InChI=1S/C20H20O4/c1-20(2,21)19-10-14-7-13-9-16(23-17(13)11-18(14)24-19)12-5-4-6-15(8-12)22-3/h4-9,11,19,21H,10H2,1-3H3
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InChIKey
HXFVJRIJLMSFHH-UHFFFAOYSA-N
Physicochemical Property
logP
4.1828
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
51.83
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 53306435
SID: 124763986
ChEMBL ID
CHEMBL1795439
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 = 7 nM
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