General Information of the Compound
Compound ID
CP0468612
Compound Name
4,4-dimethyl-1-(1-phenyl-1H-tetrazol-5-yl)pentan-3-one
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Structure
Formula
C15H19N3O
Molecular Weight
257.337
Canonical SMILES
CC(C)(C)C(=O)CCc1cnnn1-c1ccccc1
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InChI
InChI=1S/C15H19N3O/c1-15(2,3)14(19)10-9-13-11-16-17-18(13)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
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InChIKey
XSPZTBOTTAAEHO-UHFFFAOYSA-N
Physicochemical Property
logP
2.8151
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
47.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 46890464
ChEMBL ID
CHEMBL1085962
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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS