General Information of the Compound
Compound ID
CP0387349
Compound Name
N3-(4- Bromophenyl) furo[2,3- c]pyridine-2,3- diamine
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Structure
Formula
C13H10BrN3O
Molecular Weight
304.147
Canonical SMILES
Nc1oc2cnccc2c1Nc1ccc(Br)cc1
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InChI
InChI=1S/C13H10BrN3O/c14-8-1-3-9(4-2-8)17-12-10-5-6-16-7-11(10)18-13(12)15/h1-7,17H,15H2
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InChIKey
SURZRGWWNZLTPV-UHFFFAOYSA-N
Physicochemical Property
logP
3.9161
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
64.08
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 117704838
ChEMBL ID
CHEMBL4286518
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: PT02896, Tryptophan 2,3-dioxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 500 nM
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