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PF-06471553 10mg

CAT: 0628-A12640-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A12640-10Size:10 mg
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CAS Number
1808094-07-6

Chemical Information

PF-06471553

an inhibitor of monoacylglycerol acyltransferase 3; structure in first source

CAS Number1808094-07-6
PubChem CID122189255
IUPAC NameN-(2-cyclobutyltriazol-4-yl)-2-[2-(3-methoxyphenyl)acetyl]-1,3-dihydroisoindole-5-sulfonamide
Molecular FormulaC23H25N5O4S
Molecular Weight467.5
XLogP2.3
Topological Polar Surface Area115
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity801
SMILES
COC1=CC=CC(=C1)CC(=O)N2CC3=C(C2)C=C(C=C3)S(=O)(=O)NC4=NN(N=C4)C5CCC5
InChI
InChI=1S/C23H25N5O4S/c1-32-20-7-2-4-16(10-20)11-23(29)27-14-17-8-9-21(12-18(17)15-27)33(30,31)26-22-13-24-28(25-22)19-5-3-6-19/h2,4,7-10,12-13,19H,3,5-6,11,14-15H2,1H3,(H,25,26)
InChIKey
GRXCLNMCJWKTAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PF-06471553
CAS: 1808094-07-6
CID: 122189255
Formula: C23H25N5O4S
MW: 467.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.5
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass467.16272547
Monoisotopic Mass467.16272547
Topological Polar Surface Area115 Ų
Heavy Atom Count33
Formal Charge0
Complexity801
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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