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CID-16020046

CAS No.:
834903-43-4
Catalog Number:
AG00G3CU
Molecular Formula:
C25H19N3O4
Molecular Weight:
425.4361
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$96
- +
5mg
≥98%
1 week
United States
$183
- +
10mg
≥98%
1 week
United States
$251
- +
25mg
≥98%
1 week
United States
$446
- +
Product Description
Catalog Number:
AG00G3CU
Chemical Name:
CID-16020046
CAS Number:
834903-43-4
Molecular Formula:
C25H19N3O4
Molecular Weight:
425.4361
MDL Number:
MFCD06196075
IUPAC Name:
4-[4-(3-hydroxyphenyl)-3-(4-methylphenyl)-6-oxo-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid
InChI:
InChI=1S/C25H19N3O4/c1-14-5-7-15(8-6-14)21-20-22(27-26-21)24(30)28(18-11-9-16(10-12-18)25(31)32)23(20)17-3-2-4-19(29)13-17/h2-13,23,29H,1H3,(H,26,27)(H,31,32)
InChI Key:
VGUQVYZXABOXCX-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)C1N(c2ccc(cc2)C(=O)O)C(=O)c2c1c(n[nH]2)c1ccc(cc1)C
Properties
Complexity:
701  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.138g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
425.444g/mol
Monoisotopic Mass:
425.138g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
Selective GPR55 antagonism reduces chemoresistance in cancer cells. Pharmacological research 20160901
A selective antagonist reveals a potential role of G protein-coupled receptor 55 in platelet and endothelial cell function. The Journal of pharmacology and experimental therapeutics 20130701
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties