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SU9518

CAT: 0931-T28877-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T28877-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
251356-32-8
Target
Others, Endogenous Metabolite
Related Pathways
Metabolism, Others
Bioactivity
SU9518, a tyrosine kinase inhibitor with PDGFRα specificity, can inhibit the development of proliferative vitreoretinopathy (PVR) in fibroblast and Müller cell rabbit models.
Smiles
C(=C1C=2C(NC1=O)=CC=C(Br)C2)C3=C(C)C(CCC(O)=O)=C(C)N3
Molecular Formula
C18H17BrN2O3
Molecular Weight
389.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-[5-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid
CAS Number251356-32-8
PubChem CID5329146
IUPAC Name3-[5-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid
Molecular FormulaC18H17BrN2O3
Molecular Weight389.2
XLogP2.9
Topological Polar Surface Area82.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity550
SMILES
CC1=C(NC(=C1CCC(=O)O)C)/C=C\2/C3=C(C=CC(=C3)Br)NC2=O
InChI
InChI=1S/C18H17BrN2O3/c1-9-12(4-6-17(22)23)10(2)20-16(9)8-14-13-7-11(19)3-5-15(13)21-18(14)24/h3,5,7-8,20H,4,6H2,1-2H3,(H,21,24)(H,22,23)/b14-8-
InChIKey
CQXPYMNBBOWLME-ZSOIEALJSA-N
Chemical Structure
2D Structure
2D structure of 3-[5-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid
CAS: 251356-32-8
CID: 5329146
Formula: C18H17BrN2O3
MW: 389.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.2
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass388.04225
Monoisotopic Mass388.04225
Topological Polar Surface Area82.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity550
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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