General Information of the Compound
Compound ID
CP0296560
Compound Name
5-[1,8]Naphthyridin-4-yl-4-pyridin-2-yl-thiazol-2-ylamine
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Structure
Formula
C16H11N5S
Molecular Weight
305.366
Canonical SMILES
Nc1nc(c(s1)-c1ccnc2ncccc12)-c1ccccn1
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InChI
InChI=1S/C16H11N5S/c17-16-21-13(12-5-1-2-7-18-12)14(22-16)10-6-9-20-15-11(10)4-3-8-19-15/h1-9H,(H2,17,21)
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InChIKey
PQGWZYBFJQPWRT-UHFFFAOYSA-N
Physicochemical Property
logP
3.3975
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
77.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
22

"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: 11150889
SID: 16229598
ChEMBL ID
CHEMBL181958
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 = 7940 nM