General Information of the Compound
Compound ID
CP0384836
Compound Name
2,2-dimethylpropyl 8-(7-methyl-1H-indazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-2-carboxylate
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Structure
Formula
C23H32N4O3
Molecular Weight
412.534
Canonical SMILES
Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OCC(C)(C)C)CC1
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InChI
InChI=1S/C23H32N4O3/c1-16-11-17(12-18-13-24-25-19(16)18)20(28)26-8-5-23(6-9-26)7-10-27(14-23)21(29)30-15-22(2,3)4/h11-13H,5-10,14-15H2,1-4H3,(H,24,25)
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InChIKey
DHJDJBCHPIKMML-UHFFFAOYSA-N
Physicochemical Property
logP
3.98212
Rotatable Bonds
2
Heavy Atom Count
30
Polar Areas
78.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 122194524
ChEMBL ID
CHEMBL3629711
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 = 800 nM
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