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MCHR1 antagonist 3

CAT: 0931-T11965-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T11965-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1069622-60-1
Target
GPCR, Melanin-concentrating Hormone Receptor (MCHR)
Related Pathways
GPCR/G Protein, Endocrinology/Hormones
Bioactivity
MCHR1 antagonist 3, a potent antagonist of the melanin-concentrating hormone receptor-1 (MCHR1), is employed for the regulation of energy metabolism.
Smiles
C(C)N1C2(C(=O)N(C1=O)C3CC=4C(C3)=CC=CC4)CCN(CC5=CC=C(C=C5)N6CCCC6)CC2
Molecular Formula
C29H36N4O2
Molecular Weight
472.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

MCHR1 antagonist 3
CAS Number1069622-60-1
PubChem CID26219577
IUPAC Name3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
Molecular FormulaC29H36N4O2
Molecular Weight472.6
XLogP4.2
Topological Polar Surface Area47.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity766
SMILES
CCN1C(=O)N(C(=O)C12CCN(CC2)CC3=CC=C(C=C3)N4CCCC4)C5CC6=CC=CC=C6C5
InChI
InChI=1S/C29H36N4O2/c1-2-32-28(35)33(26-19-23-7-3-4-8-24(23)20-26)27(34)29(32)13-17-30(18-14-29)21-22-9-11-25(12-10-22)31-15-5-6-16-31/h3-4,7-12,26H,2,5-6,13-21H2,1H3
InChIKey
RDDNGEWEYVTDBP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MCHR1 antagonist 3
CAS: 1069622-60-1
CID: 26219577
Formula: C29H36N4O2
MW: 472.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.6
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass472.28382640
Monoisotopic Mass472.28382640
Topological Polar Surface Area47.1 Ų
Heavy Atom Count35
Formal Charge0
Complexity766
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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