General Information of the Compound
Compound ID
CP0378271
Compound Name
2-[2-(4-methylphenyl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol
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Structure
Formula
C20H20O3
Molecular Weight
308.377
Canonical SMILES
Cc1ccc(cc1)-c1cc2cc3CC(Oc3cc2o1)C(C)(C)O
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InChI
InChI=1S/C20H20O3/c1-12-4-6-13(7-5-12)16-9-14-8-15-10-19(20(2,3)21)23-18(15)11-17(14)22-16/h4-9,11,19,21H,10H2,1-3H3
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InChIKey
XQOSLTJOYSLANC-UHFFFAOYSA-N
Physicochemical Property
logP
4.48262
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
42.6
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 53306438
SID: 124763989
ChEMBL ID
CHEMBL1795442
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 = 310 nM
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