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Gcase activator 2

CAT: 0127-BUP20103-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP20103-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2759897-35-1
Purity
=98%
Smiles
C(OC1=CC(CO)=CC=C1)C=2N=C(OC2C)C3=CC=CC=C3

Chemical Information

Gcase activator 2
CAS Number2759897-35-1
PubChem CID155289224
IUPAC Name1-[4-[2-(4-methoxyphenyl)-5-methylpyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone
Molecular FormulaC21H24N4O2
Molecular Weight364.4
XLogP2
Topological Polar Surface Area60.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity514
SMILES
CC(=O)N1CCC(CC1)C2=CC3=NC(=CN=C3N2C)C4=CC=C(C=C4)OC
InChI
InChI=1S/C21H24N4O2/c1-14(26)25-10-8-16(9-11-25)20-12-18-21(24(20)2)22-13-19(23-18)15-4-6-17(27-3)7-5-15/h4-7,12-13,16H,8-11H2,1-3H3
InChIKey
HEAGFUMRBLFGAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gcase activator 2
CAS: 2759897-35-1
CID: 155289224
Formula: C21H24N4O2
MW: 364.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.4
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass364.18992602
Monoisotopic Mass364.18992602
Topological Polar Surface Area60.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity514
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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