General Information of the Compound
Compound ID
CP0073872
Compound Name
3-[8-(3-chloro-2-methylphenoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]adamantan-1-ol
    Show/Hide
Structure
Formula
C23H24ClN3O2
Molecular Weight
409.917
Canonical SMILES
Cc1c(Cl)cccc1Oc1cccn2c(nnc12)C12CC3CC(CC(O)(C3)C1)C2
    Show/Hide
InChI
InChI=1S/C23H24ClN3O2/c1-14-17(24)4-2-5-18(14)29-19-6-3-7-27-20(19)25-26-21(27)22-9-15-8-16(10-22)12-23(28,11-15)13-22/h2-7,15-16,28H,8-13H2,1H3
    Show/Hide
InChIKey
LMTDRJINJCULCX-UHFFFAOYSA-N
Physicochemical Property
logP
5.06612
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
59.65
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 56662871
ChEMBL ID
CHEMBL1800131
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 = 64 nM
   TI
   LI
   LO
   TS