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AMG-8718 50mg

CAT: 0628-A14407-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A14407-50Size:50 mg
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CAS Number
1215868-94-2

Chemical Information

Amg-8718
CAS Number1215868-94-2
PubChem CID45254510
IUPAC Name(4S)-7'-(2-fluoro-3-pyridinyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
Molecular FormulaC25H19FN4O3
Molecular Weight442.4
XLogP2.9
Topological Polar Surface Area91.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity866
SMILES
CC1(COC1)C#CC2=CC3=C(N=C2)OC4=C([C@@]35COC(=N5)N)C=C(C=C4)C6=C(N=CC=C6)F
InChI
InChI=1S/C25H19FN4O3/c1-24(12-31-13-24)7-6-15-9-19-22(29-11-15)33-20-5-4-16(17-3-2-8-28-21(17)26)10-18(20)25(19)14-32-23(27)30-25/h2-5,8-11H,12-14H2,1H3,(H2,27,30)/t25-/m0/s1
InChIKey
GKKFBOARESVMBW-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of Amg-8718
CAS: 1215868-94-2
CID: 45254510
Formula: C25H19FN4O3
MW: 442.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight442.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass442.14411864
Monoisotopic Mass442.14411864
Topological Polar Surface Area91.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity866
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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