General Information of the Compound
Compound ID
CP0493565
Compound Name
N3-([1,1'- Biphenyl]-3- yl)furo[2,3- c]pyridine-2,3- diamine
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Structure
Formula
C19H15N3O
Molecular Weight
301.349
Canonical SMILES
Nc1oc2cnccc2c1Nc1cccc(c1)-c1ccccc1
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InChI
InChI=1S/C19H15N3O/c20-19-18(16-9-10-21-12-17(16)23-19)22-15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12,22H,20H2
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InChIKey
BTTBNNDGPJXLBZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.8206
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
64.08
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 117698356
ChEMBL ID
CHEMBL4290604
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 > 2000 nM
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