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Fonadelpar 1mg

CAT: 0628-A20848-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A20848-1Size:1 mg
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CAS Number
515138-06-4

Chemical Information

Fonadelpar

Fonadelpar is under investigation in clinical trial NCT03527212 (A Study to Assess the Safety and Effectiveness of SJP-0035 for the Treatment of Patients With Dry Eye Disease).

CAS Number515138-06-4
PubChem CID9827461
IUPAC Name2-[[5-methyl-3-[2-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]-1,2-benzoxazol-6-yl]oxy]acetic acid
Molecular FormulaC25H23F3N2O4S
Molecular Weight504.5
XLogP6.7
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity719
SMILES
CC1=CC2=C(C=C1OCC(=O)O)ON=C2CCC3=C(N=C(S3)C4=CC=C(C=C4)C(F)(F)F)C(C)C
InChI
InChI=1S/C25H23F3N2O4S/c1-13(2)23-21(35-24(29-23)15-4-6-16(7-5-15)25(26,27)28)9-8-18-17-10-14(3)19(33-12-22(31)32)11-20(17)34-30-18/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,31,32)
InChIKey
WWKYLBGQYALEDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fonadelpar
CAS: 515138-06-4
CID: 9827461
Formula: C25H23F3N2O4S
MW: 504.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.5
XLogP36.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass504.13306288
Monoisotopic Mass504.13306288
Topological Polar Surface Area114 Ų
Heavy Atom Count35
Formal Charge0
Complexity719
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

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