General Information of the Compound
Compound ID
CP0155529
Compound Name
5-((biphenyl-4-yl)methyl)-N,N-dimethyl-2H-tetrazole-2-carboxamide
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Structure
Formula
C17H17N5O
Molecular Weight
307.357
Canonical SMILES
CN(C)C(=O)n1nnc(Cc2ccc(cc2)-c2ccccc2)n1
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InChI
InChI=1S/C17H17N5O/c1-21(2)17(23)22-19-16(18-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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InChIKey
VBVLSXPOMAONNK-UHFFFAOYSA-N
Physicochemical Property
logP
2.4606
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
63.91
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 24795576
SID: 49739350
ChEMBL ID
CHEMBL485841
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
CL000880 COS Chlorocebus aethiops (Green monkey)  1
1
IC50 = 510 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)  2
1
EC50 = 20100 nM
   TI
   LI
   LO
   TS
2
IC50 = 11200 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)  2
1
EC50 = 5000 nM
   TI
   LI
   LO
   TS
2
IC50 = 31300 nM
   TI
   LI
   LO
   TS