General Information of the Compound
Compound ID
CP0436659
Compound Name
N-[[1-(2-methylpropyl)tetrazol-5-yl]methyl]-4-phenylbenzamide
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Structure
Formula
C19H21N5O
Molecular Weight
335.411
Canonical SMILES
CC(C)Cn1nnnc1CNC(=O)c1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C19H21N5O/c1-14(2)13-24-18(21-22-23-24)12-20-19(25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,20,25)
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InChIKey
LRNPKCMRIWOTBE-UHFFFAOYSA-N
Physicochemical Property
logP
2.9261
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
72.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 44448539
ChEMBL ID
CHEMBL257570
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
CL000880 COS Chlorocebus aethiops (Green monkey)  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
CL000880 COS Chlorocebus aethiops (Green monkey)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02148, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 15000 nM
   TI
   LI
   LO
   TS