General Information of the Compound
Compound ID
CP0062216
Compound Name
N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
    Show/Hide
Synonyms
1-Piperazinecarboxamide, N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-
62521S57AU
681136-29-8
AC1MDCTI
AC1Q5LMB
ACMC-20emff
BCP06935
BHBOSTKQCZEAJM-UHFFFAOYSA-N
CHEMBL460273
CTK1J2536
DTXSID00384599
EX-A2218
GTPL5206
HMS1662H10
HMS2801K13
HMS3651L15
JNJ 1661010
JNJ-1661010
JNJ1661010
MLS001111246
MolPort-001-806-365
N-PHENYL-4-(3-PHENYL-1,2,4-THIADIAZOL-5-YL)-1-PIPERAZINECARBOXAMIDE
N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
Oprea1_746619
PMID26413912-Compound-13
Piperazine urea derivative 1
SCHEMBL1164398
UNII-62521S57AU
cid_2809273
    Show/Hide
Structure
Formula
C19H19N5OS
Molecular Weight
365.462
Canonical SMILES
O=C(Nc1ccccc1)N1CCN(CC1)c1nc(ns1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C19H19N5OS/c25-18(20-16-9-5-2-6-10-16)23-11-13-24(14-12-23)19-21-17(22-26-19)15-7-3-1-4-8-15/h1-10H,11-14H2,(H,20,25)
    Show/Hide
InChIKey
BHBOSTKQCZEAJM-UHFFFAOYSA-N
Physicochemical Property
logP
3.5592
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
61.36
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 2809273
SID: 24259607
ChEMBL ID
CHEMBL460273
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: PT01099, Fatty-acid amide hydrolase 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 11 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 12 nM
2 IC50 = 15 nM
3 IC50 = 33 nM
4 IC50 = 70 nM
Clinical Information about the Compound
Drug 1 ( Piperazine urea derivative 1 )
Drug Name Piperazine urea derivative 1
Drug 2 ( JNJ-1661010 )
Drug Name JNJ-1661010