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Timapiprant (OC 000459) 100mg

CAT: 0628-A11946-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A11946-100Size:100 mg
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CAS Number
851723-84-7

Chemical Information

OC-000459

OC000459 is under investigation for the treatment of Severe Eosinophilic Asthma. OC000459 has been investigated for the treatment of Bronchial Asthma.

CAS Number851723-84-7
PubChem CID11462174
IUPAC Name2-[5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid
Molecular FormulaC21H17FN2O2
Molecular Weight348.4
XLogP4.4
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity516
SMILES
CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)CC3=NC4=CC=CC=C4C=C3
InChI
InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)
InChIKey
FATGTHLOZSXOBC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of OC-000459
CAS: 851723-84-7
CID: 11462174
Formula: C21H17FN2O2
MW: 348.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass348.12740595
Monoisotopic Mass348.12740595
Topological Polar Surface Area55.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity516
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes