General Information of the Compound
Compound ID
CP0921214
Compound Name
1-[4-(1-piperidinylcarbonyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
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Structure
Formula
C20H22F3N3O
Molecular Weight
377.41
Canonical SMILES
O=C(c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CCCCC1
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InChI
InChI=1S/C20H22F3N3O/c21-20(22,23)18-16-6-2-3-7-17(16)26(24-18)15-10-8-14(9-11-15)19(27)25-12-4-1-5-13-25/h8-11H,1-7,12-13H2
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InChIKey
SBLJRTWCTCFWDW-UHFFFAOYSA-N
Physicochemical Property
logP
4.396
Rotatable Bonds
2
Heavy Atom Count
27
Polar Areas
38.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 4862344
SID: 49847633
ChEMBL ID
CHEMBL1649653
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: PT01829, Glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS