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GSK2606414 2mg

CAT: 0628-A12792-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0628-A12792-2Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1337531-36-8

Chemical Information

Gsk-2606414

GSK2606414 is an organic molecular entity.

CAS Number1337531-36-8
PubChem CID53469448
IUPAC Name1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
Molecular FormulaC24H20F3N5O
Molecular Weight451.4
XLogP3.8
Topological Polar Surface Area77
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity721
SMILES
CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F
InChI
InChI=1S/C24H20F3N5O/c1-31-12-18(21-22(28)29-13-30-23(21)31)15-5-6-19-16(11-15)7-8-32(19)20(33)10-14-3-2-4-17(9-14)24(25,26)27/h2-6,9,11-13H,7-8,10H2,1H3,(H2,28,29,30)
InChIKey
SIXVRXARNAVBTC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gsk-2606414
CAS: 1337531-36-8
CID: 53469448
Formula: C24H20F3N5O
MW: 451.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.4
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass451.16199476
Monoisotopic Mass451.16199476
Topological Polar Surface Area77 Ų
Heavy Atom Count33
Formal Charge0
Complexity721
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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