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GSK269962A HCl

CAT: 0957-S7687-25mgSize: 25 mgDry Ice: YesHazardous: No
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CAT#:0957-S7687-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2095432-71-4
Synonyms
GSK269962B, GSK269962
Target
ROCK
Applications
Cytoskeletal Signaling
Smiles
CCN1C2=CC (=NC=C2N=C1C3=NON=C3N) OC4=CC=CC (=C4) NC (=O) C5=CC=C (C=C5) OCCN6CCOCC6.Cl
Molecular Formula
C29H30N8O5.HCl
Additionnal Information
GSK269962A HCl is a selective ROCK (Rho-associated protein kinase) inhibitor with IC50 values of 1.6 and 4 nM for ROCK1 and ROCK2, respectively.
Storage Conditions
2 years -80 in solvent

Chemical Information

GSK269962 hydrochloride
CAS Number2095432-71-4
PubChem CID57398146
IUPAC NameN-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-morpholin-4-ylethoxy)benzamide;hydrochloride
Molecular FormulaC29H31ClN8O5
Molecular Weight607.1
Topological Polar Surface Area156
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count43
Formal Charge0
Complexity860
SMILES
CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6.Cl
InChI
InChI=1S/C29H30N8O5.ClH/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36;/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38);1H
InChIKey
UYKVMFKKKLLDGL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GSK269962 hydrochloride
CAS: 2095432-71-4
CID: 57398146
Formula: C29H31ClN8O5
MW: 607.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight607.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass606.2105938
Monoisotopic Mass606.2105938
Topological Polar Surface Area156 Ų
Heavy Atom Count43
Formal Charge0
Complexity860
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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