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612487-72-6 | AZD1080
CAS No: 612487-72-6 Catalog No: AG003EEI MDL No:MFCD12031593
Product Description
Catalog Number:
AG003EEI
Chemical Name:
AZD1080
CAS Number:
612487-72-6
Molecular Formula:
C19H18N4O2
Molecular Weight:
334.3718
MDL Number:
MFCD12031593
IUPAC Name:
2-hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]-1H-indole-5-carbonitrile
InChI:
InChI=1S/C19H18N4O2/c20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23-5-7-25-8-6-23/h1-4,9,11,22,24H,5-8,12H2
InChI Key:
BLTVBQXJFVRPFK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)c(c1ccc(cn1)CN1CCOCC1)c([nH]2)O
UNII:
0TII45R8IJ
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.143g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.379g/mol
Monoisotopic Mass:
334.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| AZD1080, a novel GSK3 inhibitor, rescues synaptic plasticity deficits in rodent brain and exhibits peripheral target engagement in humans. | Journal of neurochemistry 20130501 |
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