General Information of the Compound
Compound ID
CP0470556
Compound Name
N-(cyclopropylmethyl)-1H-indole-2-carboxamide
    Show/Hide
Structure
Formula
C13H14N2O
Molecular Weight
214.268
Canonical SMILES
O=C(NCC1CC1)c1cc2ccccc2[nH]1
    Show/Hide
InChI
InChI=1S/C13H14N2O/c16-13(14-8-9-5-6-9)12-7-10-3-1-2-4-11(10)15-12/h1-4,7,9,15H,5-6,8H2,(H,14,16)
    Show/Hide
InChIKey
HVPPFHLGPGKQQS-UHFFFAOYSA-N
Physicochemical Property
logP
2.3077
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
44.89
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
16

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 23025506
ChEMBL ID
CHEMBL4092619
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