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GPR40/FFAR1 modulator 1 25mg

CAT: 0628-A20129-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A20129-25Size:25 mg
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CAS Number
874755-26-7

Chemical Information

GPR40/FFAR1 modulator 1
CAS Number874755-26-7
PubChem CID8852666
IUPAC Name7-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methoxy]-4-methylchromen-2-one
Molecular FormulaC21H19N5O3
Molecular Weight389.4
XLogP3.3
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity615
SMILES
CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC3=CC4=C(C=C3)C(=CC(=O)O4)C
InChI
InChI=1S/C21H19N5O3/c1-12-5-3-4-6-16(12)23-21-25-18(24-20(22)26-21)11-28-14-7-8-15-13(2)9-19(27)29-17(15)10-14/h3-10H,11H2,1-2H3,(H3,22,23,24,25,26)
InChIKey
WCRLDDWRDAIHGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GPR40/FFAR1 modulator 1
CAS: 874755-26-7
CID: 8852666
Formula: C21H19N5O3
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight389.4
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass389.14878949
Monoisotopic Mass389.14878949
Topological Polar Surface Area112 Ų
Heavy Atom Count29
Formal Charge0
Complexity615
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