General Information of the Compound
Compound ID
CP0390629
Compound Name
4-amincarboxyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
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Structure
Formula
C23H18N4O2
Molecular Weight
382.423
Canonical SMILES
NC(=O)c1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
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InChI
InChI=1S/C23H18N4O2/c24-22(28)17-11-13-18(14-12-17)23(29)25-21-15-20(16-7-3-1-4-8-16)26-27(21)19-9-5-2-6-10-19/h1-15H,(H2,24,28)(H,25,29)
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InChIKey
MQJNCVNIHOUHQT-UHFFFAOYSA-N
Physicochemical Property
logP
3.8905
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
90.01
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 11710684
SID: 16815540
ChEMBL ID
CHEMBL210627
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: PT01247, Metabotropic glutamate receptor 5
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