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AT-035

CAT: 0931-T85736-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T85736-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2099680-55-2
Target
Opioid Receptor
Related Pathways
GPCR/G Protein, Neuroscience, Endocrinology/Hormones
Bioactivity
AT-035 is a high-affinity, selective NOP agonist [1].
Smiles
C(N)C1=CN(C=2C1=CC=CC2)C3CCN(CC3)[C@@H]4CC[C@H]([C@@H](C)C)CC4
Molecular Formula
C23H35N3
Molecular Weight
353.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[1-[1-(4-Propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine
CAS Number2099680-55-2
PubChem CID134563655
IUPAC Name[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine
Molecular FormulaC23H35N3
Molecular Weight353.5
XLogP4.2
Topological Polar Surface Area34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity435
SMILES
CC(C)C1CCC(CC1)N2CCC(CC2)N3C=C(C4=CC=CC=C43)CN
InChI
InChI=1S/C23H35N3/c1-17(2)18-7-9-20(10-8-18)25-13-11-21(12-14-25)26-16-19(15-24)22-5-3-4-6-23(22)26/h3-6,16-18,20-21H,7-15,24H2,1-2H3
InChIKey
IPYIZXVSNKMLOX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [1-[1-(4-Propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine
CAS: 2099680-55-2
CID: 134563655
Formula: C23H35N3
MW: 353.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.5
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass353.283098129
Monoisotopic Mass353.283098129
Topological Polar Surface Area34.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity435
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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