General Information of the Compound
Compound ID
CP0567279
Compound Name
N3-(3-Chloro-4- fluorophenyl)- 7-isopropyl- furo[2,3-c] pyridine- 2,3-diamine
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Structure
Formula
C16H15ClFN3O
Molecular Weight
319.767
Canonical SMILES
CC(C)c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
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InChI
InChI=1S/C16H15ClFN3O/c1-8(2)13-15-10(5-6-20-13)14(16(19)22-15)21-9-3-4-12(18)11(17)7-9/h3-8,21H,19H2,1-2H3
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InChIKey
KKXAYGUGRSLFHH-UHFFFAOYSA-N
Physicochemical Property
logP
5.0695
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
64.08
Hydrogen Bond Donor Count
2
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: 86582323
ChEMBL ID
CHEMBL4284439
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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