General Information of the Compound
Compound ID
CP0523699
Compound Name
2-cyclopentyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
    Show/Hide
Structure
Formula
C24H27N5O3
Molecular Weight
433.512
Canonical SMILES
Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C1CCCC1
    Show/Hide
InChI
InChI=1S/C24H27N5O3/c1-15-10-16(11-17-13-25-26-21(15)17)23(31)28-8-6-24(7-9-28)12-19(30)22-20(32-24)14-29(27-22)18-4-2-3-5-18/h10-11,13-14,18H,2-9,12H2,1H3,(H,25,26)
    Show/Hide
InChIKey
ZOLCPEGDHARGIQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.82312
Rotatable Bonds
2
Heavy Atom Count
32
Polar Areas
93.11
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
32

"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: 56951632
SID: 135658510
ChEMBL ID
CHEMBL1958359
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: PT01119, Acetyl-CoA carboxylase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 9.4 nM
   TI
   LI
   LO
   TS