General Information of the Compound
Compound ID
CP0571702
Compound Name
N-(2-pyridin-2-ylethyl)-2-thiophen-2-ylindole-1-carboxamide
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Structure
Formula
C20H17N3OS
Molecular Weight
347.443
Canonical SMILES
O=C(NCCc1ccccn1)n1c(cc2ccccc12)-c1cccs1
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InChI
InChI=1S/C20H17N3OS/c24-20(22-12-10-16-7-3-4-11-21-16)23-17-8-2-1-6-15(17)14-18(23)19-9-5-13-25-19/h1-9,11,13-14H,10,12H2,(H,22,24)
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InChIKey
WDNYTEIRGJADIJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.5652
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
46.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 137641283
ChEMBL ID
CHEMBL4073807
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 > 81010 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 = 80270 nM
   TI
   LI
   LO
   TS