General Information of the Compound
Compound ID
CP0380655
Compound Name
6-chloro-5-propyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
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Structure
Formula
C17H18ClN3O
Molecular Weight
315.804
Canonical SMILES
CCCc1cc2CCN(C(=O)Nc3cccnc3)c2cc1Cl
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InChI
InChI=1S/C17H18ClN3O/c1-2-4-12-9-13-6-8-21(16(13)10-15(12)18)17(22)20-14-5-3-7-19-11-14/h3,5,7,9-11H,2,4,6,8H2,1H3,(H,20,22)
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InChIKey
GYVNZUJLZLMDFJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.2821
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
45.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 10781655
SID: 15820187
ChEMBL ID
CHEMBL296687
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1258.93 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 19.95 nM
   TI
   LI
   LO
   TS