General Information of the Compound
Compound ID
CP0447385
Compound Name
N-(pyridin-2-ylmethyl)-2-[2-(1,2-thiazol-3-yl)indol-1-yl]acetamide
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Structure
Formula
C19H16N4OS
Molecular Weight
348.431
Canonical SMILES
O=C(Cn1c(cc2ccccc12)-c1ccsn1)NCc1ccccn1
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InChI
InChI=1S/C19H16N4OS/c24-19(21-12-15-6-3-4-9-20-15)13-23-17-7-2-1-5-14(17)11-18(23)16-8-10-25-22-16/h1-11H,12-13H2,(H,21,24)
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InChIKey
RKGGNRKEAHCEBE-UHFFFAOYSA-N
Physicochemical Property
logP
3.4762
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
59.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 137659789
ChEMBL ID
CHEMBL4099806
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: PT00934, High affinity nerve growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 961 nM
   TI
   LI
   LO
   TS
Protein ID: PT00936, NT-3 growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 > 81010 nM
   TI
   LI
   LO
   TS