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Neuromuscular-targeting compound 1

CAT: 0931-T13491-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T13491-01Size:1 mg
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CAS Number
1178978-20-5
Target
Others
Related Pathways
Others
Purity
>99.99%
Bioactivity
Neuromuscular-targeting compound 1 can be used to study muscular dystrophy and neuromuscular-related diseases.
Smiles
O=C1NC2=NC=C(Cl)C(C3=NN=NN3)=C2N1C(CC)CC
Molecular Formula
C12H14ClN7O
Molecular Weight
307.74
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-chloro-1-pentan-3-yl-7-(2H-tetrazol-5-yl)-3H-imidazo[4,5-b]pyridin-2-one
CAS Number1178978-20-5
PubChem CID44156981
IUPAC Name6-chloro-1-pentan-3-yl-7-(2H-tetrazol-5-yl)-3H-imidazo[4,5-b]pyridin-2-one
Molecular FormulaC12H14ClN7O
Molecular Weight307.74
XLogP1.7
Topological Polar Surface Area99.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity394
SMILES
CCC(CC)N1C2=C(C(=CN=C2NC1=O)Cl)C3=NNN=N3
InChI
InChI=1S/C12H14ClN7O/c1-3-6(4-2)20-9-8(10-16-18-19-17-10)7(13)5-14-11(9)15-12(20)21/h5-6H,3-4H2,1-2H3,(H,14,15,21)(H,16,17,18,19)
InChIKey
LZQYZTTXHOVYAG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-chloro-1-pentan-3-yl-7-(2H-tetrazol-5-yl)-3H-imidazo[4,5-b]pyridin-2-one
CAS: 1178978-20-5
CID: 44156981
Formula: C12H14ClN7O
MW: 307.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight307.74
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass307.0948358
Monoisotopic Mass307.0948358
Topological Polar Surface Area99.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity394
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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HY-U00393Arrhythmic-Targeting Compound 1
BUP08829-01Cancer-Targeting Compound 1
GTR19206678-01Itch-Targeting Compound 1
MBS5771964Urinary Incontinence-Targeting Compound 1
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