General Information of the Compound
Compound ID
CP0374290
Compound Name
5'-methoxy-7'-methyl-1-(7-methyl-1H-indazole-5-carbonyl)spiro[piperidine-4,2'-pyrano[3,2-c]pyridin]-4'(3'H)-one
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Structure
Formula
C23H24N4O4
Molecular Weight
420.469
Canonical SMILES
COc1nc(C)cc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c12
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InChI
InChI=1S/C23H24N4O4/c1-13-8-15(10-16-12-24-26-20(13)16)22(29)27-6-4-23(5-7-27)11-17(28)19-18(31-23)9-14(2)25-21(19)30-3/h8-10,12H,4-7,11H2,1-3H3,(H,24,26)
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InChIKey
ZWYRWHZIJAUHPE-UHFFFAOYSA-N
Physicochemical Property
logP
3.22354
Rotatable Bonds
2
Heavy Atom Count
31
Polar Areas
97.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 46884924
ChEMBL ID
CHEMBL1090179
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 = 48 nM
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