General Information of the Compound
Compound ID
CP0288713
Compound Name
5-phenyl-2-(2-(piperidine-1-carbonyl)phenyl)-2,3-dihydro-1H-pyrrolo[1,2-c]imidazol-1-one
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Structure
Formula
C24H23N3O2
Molecular Weight
385.467
Canonical SMILES
O=C(N1CCCCC1)c1ccccc1N1Cn2c(ccc2-c2ccccc2)C1=O
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InChI
InChI=1S/C24H23N3O2/c28-23(25-15-7-2-8-16-25)19-11-5-6-12-21(19)27-17-26-20(13-14-22(26)24(27)29)18-9-3-1-4-10-18/h1,3-6,9-14H,2,7-8,15-17H2
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InChIKey
KHHBKFYFMHFBOI-UHFFFAOYSA-N
Physicochemical Property
logP
4.3991
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
45.55
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 50925457
SID: 113919647
ChEMBL ID
CHEMBL1290004
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: PT05857, Neuropeptide S receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 10 nM
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