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CNX-1351

CAS No.:
1276105-89-5
Catalog Number:
AG009CHH
Molecular Formula:
C30H35N7O3S
Molecular Weight:
573.7090
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$237
- +
10mg
99%
1 week
United States
$390
- +
50mg
99%
1 week
United States
$1157
- +
Product Description
Catalog Number:
AG009CHH
Chemical Name:
CNX-1351
CAS Number:
1276105-89-5
Molecular Formula:
C30H35N7O3S
Molecular Weight:
573.7090
MDL Number:
MFCD25976872
IUPAC Name:
1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methylhept-5-ene-1,4-dione
InChI:
InChI=1S/C30H35N7O3S/c1-20(2)16-21(38)6-7-27(39)36-10-8-35(9-11-36)19-22-17-26-28(41-22)30(37-12-14-40-15-13-37)33-29(32-26)23-4-3-5-25-24(23)18-31-34-25/h3-5,16-18H,6-15,19H2,1-2H3,(H,31,34)
InChI Key:
DLNUPKDFXMWRFP-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)CCC(=O)N1CCN(CC1)Cc1cc2c(s1)c(nc(n2)c1cccc2c1cn[nH]2)N1CCOCC1)C
Properties
Complexity:
950  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
573.252g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
573.716g/mol
Monoisotopic Mass:
573.252g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties