General Information of the Compound
Compound ID
CP0554552
Compound Name
5-(2,3-difluorophenyl)-N-(oxan-4-yl)-1H-indazole-3-carboxamide
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Structure
Formula
C19H17F2N3O2
Molecular Weight
357.36
Canonical SMILES
Fc1cccc(-c2ccc3[nH]nc(C(=O)NC4CCOCC4)c3c2)c1F
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InChI
InChI=1S/C19H17F2N3O2/c20-15-3-1-2-13(17(15)21)11-4-5-16-14(10-11)18(24-23-16)19(25)22-12-6-8-26-9-7-12/h1-5,10,12H,6-9H2,(H,22,25)(H,23,24)
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InChIKey
UZGGCPPNHPWZKF-UHFFFAOYSA-N
Physicochemical Property
logP
3.4169
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
67.01
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 118381555
ChEMBL ID
CHEMBL4633727
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1800 nM
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