General Information of the Compound
Compound ID
CP0380776
Compound Name
5-[[4-(4-hydroxyphenyl)phenyl]methyl]-N,N-dimethyltetrazole-1-carboxamide
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Structure
Formula
C17H17N5O2
Molecular Weight
323.356
Canonical SMILES
CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccc(O)cc1
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InChI
InChI=1S/C17H17N5O2/c1-21(2)17(24)22-16(18-19-20-22)11-12-3-5-13(6-4-12)14-7-9-15(23)10-8-14/h3-10,23H,11H2,1-2H3
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InChIKey
MAVYDRYLWFEHAH-UHFFFAOYSA-N
Physicochemical Property
logP
2.1662
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
84.14
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
24

"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: 72197442
ChEMBL ID
CHEMBL2376865
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: PT01782, Monoglyceride lipase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 > 1000 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 = 21700 nM
   TI
   LI
   LO
   TS
2
IC50 > 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
IC50 > 100000 nM
   TI
   LI
   LO
   TS