General Information of the Compound
Compound ID
CP0162103
Compound Name
5-(6-Methyl-[1,5]naphthyridin-4-yl)-4-pyridin-2-yl-thiazol-2-ylamine
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Structure
Formula
C17H13N5S
Molecular Weight
319.393
Canonical SMILES
Cc1ccc2nccc(-c3sc(N)nc3-c3ccccn3)c2n1
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InChI
InChI=1S/C17H13N5S/c1-10-5-6-13-14(21-10)11(7-9-20-13)16-15(22-17(18)23-16)12-4-2-3-8-19-12/h2-9H,1H3,(H2,18,22)
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InChIKey
QXPCZCMDSKNVRW-UHFFFAOYSA-N
Physicochemical Property
logP
3.70592
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
77.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 11162962
SID: 16242406
ChEMBL ID
CHEMBL425177
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 = 260 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 380 nM