General Information of the Compound
Compound ID
CP0568622
Compound Name
2-[[1-[4-(2,4-dichlorophenyl)phenyl]cyclopropyl]-[4-(difluoromethoxy)phenyl]sulfonylamino]acetic acid
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Structure
Formula
C24H19Cl2F2NO5S
Molecular Weight
542.387
Canonical SMILES
OC(=O)CN(C1(CC1)c1ccc(cc1)-c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(OC(F)F)cc1
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InChI
InChI=1S/C24H19Cl2F2NO5S/c25-17-5-10-20(21(26)13-17)15-1-3-16(4-2-15)24(11-12-24)29(14-22(30)31)35(32,33)19-8-6-18(7-9-19)34-23(27)28/h1-10,13,23H,11-12,14H2,(H,30,31)
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InChIKey
UKYHIDBVOSCOLH-UHFFFAOYSA-N
Physicochemical Property
logP
6.0264
Rotatable Bonds
9
Heavy Atom Count
35
Polar Areas
83.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
35

"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: 53372147
SID: 125293780
ChEMBL ID
CHEMBL3764007
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: PT04933, Diacylglycerol lipase-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 130 nM
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