General Information of the Compound
Compound ID
CP0261548
Compound Name
5-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylpyridin-2-amine
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Structure
Formula
C24H23N5
Molecular Weight
381.483
Canonical SMILES
Nc1ncc(cc1-c1ccnc2ccccc12)-c1ccc(cc1)N1CCNCC1
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InChI
InChI=1S/C24H23N5/c25-24-22(20-9-10-27-23-4-2-1-3-21(20)23)15-18(16-28-24)17-5-7-19(8-6-17)29-13-11-26-12-14-29/h1-10,15-16,26H,11-14H2,(H2,25,28)
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InChIKey
DRLYQGOJGGELFQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.9556
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
67.07
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 118392556
ChEMBL ID
CHEMBL3341791
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: PT01221, TGF-beta receptor type-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 4300 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 21000 nM