General Information of the Compound
Compound ID
CP0018238
Compound Name
N-methyl-N-(2-methylpropyl)-2-(4-phenyl-1H-pyrazol-5-yl)-1H-indole-6-carboxamide
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Structure
Formula
C23H24N4O
Molecular Weight
372.472
Canonical SMILES
CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1
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InChI
InChI=1S/C23H24N4O/c1-15(2)14-27(3)23(28)18-10-9-17-11-21(25-20(17)12-18)22-19(13-24-26-22)16-7-5-4-6-8-16/h4-13,15,25H,14H2,1-3H3,(H,24,26)
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InChIKey
XZHOYHKWBQJJRK-UHFFFAOYSA-N
Physicochemical Property
logP
4.953
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
64.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 135957039
SID: 99311354
ChEMBL ID
CHEMBL1164353
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: PT01101, Insulin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 10000 nM
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