General Information of the Compound
Compound ID
CP0396215
Compound Name
N-propan-2-yl-1H-indole-2-carboxamide
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Structure
Formula
C12H14N2O
Molecular Weight
202.257
Canonical SMILES
CC(C)NC(=O)c1cc2ccccc2[nH]1
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InChI
InChI=1S/C12H14N2O/c1-8(2)13-12(15)11-7-9-5-3-4-6-10(9)14-11/h3-8,14H,1-2H3,(H,13,15)
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InChIKey
FAIUHDKHIFKHPO-UHFFFAOYSA-N
Physicochemical Property
logP
2.3061
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
44.89
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
15

"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: 13680883
ChEMBL ID
CHEMBL4073520
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: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 100000 nM
   TI
   LI
   LO
   TS