General Information of the Compound
Compound ID
CP0914320
Compound Name
cis-5-(4-(2-chlorophenyl)-1H-imidazol-2-yl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
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Structure
Formula
C20H25ClN4O
Molecular Weight
372.9
Canonical SMILES
CN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1c1nc(-c2ccccc2Cl)c[nH]1
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InChI
InChI=1S/C20H25ClN4O/c1-24-18(11-14(20(24)26)13-25-9-5-2-6-10-25)19-22-12-17(23-19)15-7-3-4-8-16(15)21/h3-4,7-8,12,14,18H,2,5-6,9-11,13H2,1H3,(H,22,23)/t14-,18+/m1/s1
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InChIKey
HTMFXDINJCEKDX-KDOFPFPSSA-N
Physicochemical Property
logP
3.7354
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
52.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 44564587
ChEMBL ID
CHEMBL447505
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: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000033 GH3 Rattus norvegicus (Rat)  1
1
EC50 = 1258.93 nM
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