General Information of the Compound
Compound ID
CP0375960
Compound Name
5-phenyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
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Structure
Formula
C20H17N3O
Molecular Weight
315.376
Canonical SMILES
O=C(Nc1cccnc1)N1CCc2cc(ccc12)-c1ccccc1
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InChI
InChI=1S/C20H17N3O/c24-20(22-18-7-4-11-21-14-18)23-12-10-17-13-16(8-9-19(17)23)15-5-2-1-3-6-15/h1-9,11,13-14H,10,12H2,(H,22,24)
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InChIKey
YSGSQACIWFDMAJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.3432
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
45.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 10852828
SID: 15895258
ChEMBL ID
CHEMBL296236
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 = 5011.87 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 = 125.89 nM
   TI
   LI
   LO
   TS