General Information of the Compound
Compound ID
CP0044110
Compound Name
4H-furo[3,2-b]pyrrole-5-carboxylic acid
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Structure
Formula
C7H5NO3
Molecular Weight
151.121
Canonical SMILES
OC(=O)c1cc2occc2[nH]1
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InChI
InChI=1S/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
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InChIKey
MMAIBGHDBYQYDI-UHFFFAOYSA-N
CAS
67268-37-5
Physicochemical Property
logP
1.4591
Rotatable Bonds
1
Heavy Atom Count
11
Polar Areas
66.23
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
11

"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: 7141881
SID: 24907684
ChEMBL ID
CHEMBL492591
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: PT02547, D-amino-acid oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 9 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 141 nM
2 Kd = 3.1 nM
3 Kd = 14 nM
4 Kd = 29 nM
5 Kd = 37 nM
Protein ID: PT03113, D-amino-acid oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 424 nM
   TI
   LI
   LO
   TS
Protein ID: PT04851, D-aspartate oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 19500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 5000 nM
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS