General Information of the Compound
Compound ID
CP0397273
Compound Name
2-(2-pyridin-4-yl-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl)propan-2-ol
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Structure
Formula
C18H17NO3
Molecular Weight
295.338
Canonical SMILES
CC(C)(O)C1Cc2cc3cc(oc3cc2O1)-c1ccncc1
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InChI
InChI=1S/C18H17NO3/c1-18(2,20)17-9-13-7-12-8-14(11-3-5-19-6-4-11)21-15(12)10-16(13)22-17/h3-8,10,17,20H,9H2,1-2H3
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InChIKey
RIGAZQRUXGMFGY-UHFFFAOYSA-N
Physicochemical Property
logP
3.5692
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
55.49
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 53306580
SID: 124764135
ChEMBL ID
CHEMBL1795444
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 = 1100 nM
   TI
   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