General Information of the Compound
Compound ID
CP0574595
Compound Name
(2-chloro-5-morpholin-4-ylsulfonylphenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
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Structure
Formula
C20H19ClN4O4S
Molecular Weight
446.916
Canonical SMILES
Clc1ccc(cc1C(=O)N1CCn2c1nc1ccccc21)S(=O)(=O)N1CCOCC1
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InChI
InChI=1S/C20H19ClN4O4S/c21-16-6-5-14(30(27,28)23-9-11-29-12-10-23)13-15(16)19(26)25-8-7-24-18-4-2-1-3-17(18)22-20(24)25/h1-6,13H,7-12H2
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InChIKey
HTQGEGFLZYGULH-UHFFFAOYSA-N
Physicochemical Property
logP
2.371
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
84.74
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 3585700
ChEMBL ID
CHEMBL4764826
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: PT02001, Orexin/Hypocretin receptor type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS