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PF-04620110 10mg

CAT: 0628-A11526-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A11526-10Size:10 mg
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CAS Number
1109276-89-2

Chemical Information

PF-04620110

PF-04620110 is under investigation in clinical trial NCT01146327 (A Multiple Dose Study Of PF-04620110 In Healthy Overweight Or Obese Subjects).

CAS Number1109276-89-2
PubChem CID46926360
IUPAC Name2-[4-[4-(4-amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6-yl)phenyl]cyclohexyl]acetic acid
Molecular FormulaC21H24N4O4
Molecular Weight396.4
XLogP3.3
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity587
SMILES
C1CC(CCC1CC(=O)O)C2=CC=C(C=C2)N3CCOC4=NC=NC(=C4C3=O)N
InChI
InChI=1S/C21H24N4O4/c22-19-18-20(24-12-23-19)29-10-9-25(21(18)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24)
InChIKey
GEVVQZHMFVFGLN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PF-04620110
CAS: 1109276-89-2
CID: 46926360
Formula: C21H24N4O4
MW: 396.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.4
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass396.17975526
Monoisotopic Mass396.17975526
Topological Polar Surface Area119 Ų
Heavy Atom Count29
Formal Charge0
Complexity587
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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