General Information of the Compound
Compound ID
CP0472230
Compound Name
7-(2- Methylpyridin- 4-yl)-N3-(2- (piperidin-1- yl)phenyl)furo [2,3-c]pyridine- 2,3-diamine
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Structure
Formula
C24H25N5O
Molecular Weight
399.498
Canonical SMILES
Cc1cc(ccn1)-c1nccc2c(Nc3ccccc3N3CCCCC3)c(N)oc12
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InChI
InChI=1S/C24H25N5O/c1-16-15-17(9-11-26-16)21-23-18(10-12-27-21)22(24(25)30-23)28-19-7-3-4-8-20(19)29-13-5-2-6-14-29/h3-4,7-12,15,28H,2,5-6,13-14,25H2,1H3
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InChIKey
VFVDZDRDFKDIBQ-UHFFFAOYSA-N
Physicochemical Property
logP
5.51432
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
80.21
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 118871006
ChEMBL ID
CHEMBL4280480
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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