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Smurf1 inhibitor A17

CAS No.:
924198-81-2
Catalog Number:
AG01BC3D
Molecular Formula:
C25H26FN3O4
Molecular Weight:
451.4900
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Product Description
Catalog Number:
AG01BC3D
Chemical Name:
Smurf1 inhibitor A17
CAS Number:
924198-81-2
Molecular Formula:
C25H26FN3O4
Molecular Weight:
451.4900
IUPAC Name:
1-ethyl-6-fluoro-4-oxo-7-[4-(3-phenylpropanoyl)piperazin-1-yl]quinoline-3-carboxylic acid
InChI:
InChI=1S/C25H26FN3O4/c1-2-27-16-19(25(32)33)24(31)18-14-20(26)22(15-21(18)27)28-10-12-29(13-11-28)23(30)9-8-17-6-4-3-5-7-17/h3-7,14-16H,2,8-13H2,1H3,(H,32,33)
InChI Key:
WSMQLUAQZNPXFD-UHFFFAOYSA-N
SMILES:
CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=O)CCc1ccccc1)c(c2)F
Properties
Complexity:
774  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.191g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
451.498g/mol
Monoisotopic Mass:
451.191g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties