General Information of the Compound
Compound ID
CP0490518
Compound Name
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one
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Structure
Formula
C20H16FN5O2
Molecular Weight
377.379
Canonical SMILES
Fc1ccccc1-n1ncc2c(cccc12)N1CCN(Cc2ncco2)C1=O
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InChI
InChI=1S/C20H16FN5O2/c21-15-4-1-2-5-18(15)26-17-7-3-6-16(14(17)12-23-26)25-10-9-24(20(25)27)13-19-22-8-11-28-19/h1-8,11-12H,9-10,13H2
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InChIKey
CWIZVJATUFGKBM-UHFFFAOYSA-N
Physicochemical Property
logP
3.5948
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
67.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 118937646
ChEMBL ID
CHEMBL3799838
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: PT01105, Sodium channel protein type 5 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 14200 nM
   TI
   LI
   LO
   TS
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000131 HEK293-F Homo sapiens (Human)  2
1
IC50 = 1500 nM
   TI
   LI
   LO
   TS
2
IC50 > 10000 nM
   TI
   LI
   LO
   TS