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Hg-10-102-01

CAS No.:
1351758-81-0
Catalog Number:
AG009CC8
Molecular Formula:
C17H20ClN5O3
Molecular Weight:
377.8254
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$93
- +
5mg
≥98%
1 week
United States
$193
- +
10mg
≥98%
1 week
United States
$273
- +
25mg
≥98%
1 week
United States
$554
- +
Product Description
Catalog Number:
AG009CC8
Chemical Name:
Hg-10-102-01
CAS Number:
1351758-81-0
Molecular Formula:
C17H20ClN5O3
Molecular Weight:
377.8254
MDL Number:
MFCD28160565
IUPAC Name:
[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
InChI:
InChI=1S/C17H20ClN5O3/c1-19-15-12(18)10-20-17(22-15)21-13-4-3-11(9-14(13)25-2)16(24)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)
InChI Key:
YEVOZZZLKJKCCD-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1Nc1ncc(c(n1)NC)Cl)C(=O)N1CCOCC1
Properties
Complexity:
466  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.125g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
377.829g/mol
Monoisotopic Mass:
377.125g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Discovery of highly potent, selective, and brain-penetrable leucine-rich repeat kinase 2 (LRRK2) small molecule inhibitors. Journal of medicinal chemistry 20121126
Brain Penetrant LRRK2 Inhibitor. ACS medicinal chemistry letters 20120809
Discovery of selective LRRK2 inhibitors guided by computational analysis and molecular modeling. Journal of medicinal chemistry 20120614
Properties