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2201057-10-3 | MAT2A inhibitor
CAS No: 2201057-10-3 Catalog No: AG01FNV6 MDL No:
Product Description
Catalog Number:
AG01FNV6
Chemical Name:
MAT2A inhibitor
CAS Number:
2201057-10-3
Molecular Formula:
C31H22N6OS
Molecular Weight:
526.6110
IUPAC Name:
6-(2-methyl-1,3-benzothiazol-6-yl)-2,3-diphenyl-5-(pyridin-2-ylamino)-4H-pyrazolo[1,5-a]pyrimidin-7-one
InChI:
InChI=1S/C31H22N6OS/c1-19-33-23-16-15-22(18-24(23)39-19)27-29(34-25-14-8-9-17-32-25)35-30-26(20-10-4-2-5-11-20)28(36-37(30)31(27)38)21-12-6-3-7-13-21/h2-18,35H,1H3,(H,32,34)
InChI Key:
ZTNQNZDNHUAVEI-UHFFFAOYSA-N
SMILES:
Cc1nc2c(s1)cc(cc2)c1c(Nc2ccccn2)[nH]c2n(c1=O)nc(c2c1ccccc1)c1ccccc1
Properties
Complexity:
917
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
526.158g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
526.618g/mol
Monoisotopic Mass:
526.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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