General Information of the Compound
Compound ID
CP0296559
Compound Name
4-(5-Methyl-pyridin-2-yl)-5-quinolin-4-yl-thiazol-2-ylamine
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Structure
Formula
C18H14N4S
Molecular Weight
318.405
Canonical SMILES
Cc1ccc(nc1)-c1nc(N)sc1-c1ccnc2ccccc12
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InChI
InChI=1S/C18H14N4S/c1-11-6-7-15(21-10-11)16-17(23-18(19)22-16)13-8-9-20-14-5-3-2-4-12(13)14/h2-10H,1H3,(H2,19,22)
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InChIKey
USWZUNDOUGZOOF-UHFFFAOYSA-N
Physicochemical Property
logP
4.31092
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
64.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 11244063
SID: 16328645
ChEMBL ID
CHEMBL359611
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
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 10000 nM