General Information of the Compound
Compound ID
CP0481840
Compound Name
N3-(4- Fluorophenyl)- 7-(pyridin-4- yl)furo[2,3- c]pyridine-2,3- diamine
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Structure
Formula
C18H13FN4O
Molecular Weight
320.327
Canonical SMILES
Nc1oc2c(nccc2c1Nc1ccc(F)cc1)-c1ccncc1
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InChI
InChI=1S/C18H13FN4O/c19-12-1-3-13(4-2-12)23-16-14-7-10-22-15(17(14)24-18(16)20)11-5-8-21-9-6-11/h1-10,23H,20H2
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InChIKey
RIAHKBSDLOJVKV-UHFFFAOYSA-N
Physicochemical Property
logP
4.3547
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
76.97
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 117704801
ChEMBL ID
CHEMBL4288488
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
   TI
   LI
   LO
   TS