General Information of the Compound
Compound ID
CP0459053
Compound Name
1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-(2,5-diethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide
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Structure
Formula
C26H24Cl4N4O
Molecular Weight
550.317
Canonical SMILES
CCc1ccc(CC)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1
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InChI
InChI=1S/C26H24Cl4N4O/c1-4-17-7-8-18(5-2)33(17)26-15(3)24(32-34(26)19-9-11-21(28)23(30)13-19)25(35)31-14-16-6-10-20(27)22(29)12-16/h6-13H,4-5,14H2,1-3H3,(H,31,35)
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InChIKey
VMWZOMOQEMJIMP-UHFFFAOYSA-N
Physicochemical Property
logP
7.63982
Rotatable Bonds
7
Heavy Atom Count
35
Polar Areas
51.85
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: 56931192
SID: 135630241
ChEMBL ID
CHEMBL1909853
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS