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GR 125743 5mg

CAT: 0628-A22189-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A22189-5Size:5 mg
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CAS Number
148547-33-5

Chemical Information

GR-125743
CAS Number148547-33-5
PubChem CID5311130
IUPAC NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-pyridin-4-ylbenzamide
Molecular FormulaC25H28N4O2
Molecular Weight416.5
XLogP3.6
Topological Polar Surface Area57.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity574
SMILES
CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)OC)N3CCN(CC3)C)C4=CC=NC=C4
InChI
InChI=1S/C25H28N4O2/c1-18-16-20(4-6-22(18)19-8-10-26-11-9-19)25(30)27-21-5-7-24(31-3)23(17-21)29-14-12-28(2)13-15-29/h4-11,16-17H,12-15H2,1-3H3,(H,27,30)
InChIKey
GNOXPYACARZYMW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GR-125743
CAS: 148547-33-5
CID: 5311130
Formula: C25H28N4O2
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass416.22122615
Monoisotopic Mass416.22122615
Topological Polar Surface Area57.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity574
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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