General Information of the Compound
Compound ID
CP0481847
Compound Name
4-(2-Amino-3- ((3-chloro-4- fluorophenyl) amino)furo[2,3- c]pyridin-7-yl)- N-cyclohexyl- picolinamide
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Structure
Formula
C25H23ClFN5O2
Molecular Weight
479.943
Canonical SMILES
Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1ccnc(c1)C(=O)NC1CCCCC1
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InChI
InChI=1S/C25H23ClFN5O2/c26-18-13-16(6-7-19(18)27)31-22-17-9-11-30-21(23(17)34-24(22)28)14-8-10-29-20(12-14)25(33)32-15-4-2-1-3-5-15/h6-13,15,31H,1-5,28H2,(H,32,33)
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InChIKey
FGAWDZLZGOWPPW-UHFFFAOYSA-N
Physicochemical Property
logP
6.0706
Rotatable Bonds
5
Heavy Atom Count
34
Polar Areas
106.07
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
34

"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: 117698473
ChEMBL ID
CHEMBL4289773
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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