General Information of the Compound
Compound ID
CP0399017
Compound Name
N,N-dimethyl-5-(2-phenylethyl)tetrazole-2-carboxamide
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Structure
Formula
C12H15N5O
Molecular Weight
245.286
Canonical SMILES
CN(C)C(=O)n1nnc(CCc2ccccc2)n1
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InChI
InChI=1S/C12H15N5O/c1-16(2)12(18)17-14-11(13-15-17)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
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InChIKey
LTQAGBUYSHHPOW-UHFFFAOYSA-N
Physicochemical Property
logP
0.988
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
63.91
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
18

"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: 24795577
SID: 49739351
ChEMBL ID
CHEMBL504374
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 = 600 nM
   TI
   LI
   LO
   TS