General Information of the Compound
Compound ID
CP0302814
Compound Name
5-(6-Ethoxy-[1,5]naphthyridin-2-yl)-4-pyridin-2-yl-thiazol-2-ylamine
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Structure
Formula
C18H15N5OS
Molecular Weight
349.419
Canonical SMILES
CCOc1ccc2nc(ccc2n1)-c1sc(N)nc1-c1ccccn1
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InChI
InChI=1S/C18H15N5OS/c1-2-24-15-9-8-11-12(22-15)6-7-14(21-11)17-16(23-18(19)25-17)13-5-3-4-10-20-13/h3-10H,2H2,1H3,(H2,19,23)
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InChIKey
NKPNEZGIXTWKIJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.7962
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
86.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
25

"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: 11739564
SID: 16845949
ChEMBL ID
CHEMBL360613
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