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AKT-IN-2 5mg

CAT: 0628-A20147-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A20147-5Size:5 mg
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CAS Number
1295514-91-8

Chemical Information

Akt-IN-2
CAS Number1295514-91-8
PubChem CID51346966
IUPAC Name(5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC25H34F3N7O
Molecular Weight505.6
XLogP3.1
Topological Polar Surface Area79.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity742
SMILES
C[C@@H]1CC(=O)NC2=C1C(=NC=N2)N3CCC(CC3)C4=NC(=CN4CCN5CCCC5)CCC(F)(F)F
InChI
InChI=1S/C25H34F3N7O/c1-17-14-20(36)32-22-21(17)24(30-16-29-22)34-10-5-18(6-11-34)23-31-19(4-7-25(26,27)28)15-35(23)13-12-33-8-2-3-9-33/h15-18H,2-14H2,1H3,(H,29,30,32,36)/t17-/m1/s1
InChIKey
QRULDXBXPXGMQS-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of Akt-IN-2
CAS: 1295514-91-8
CID: 51346966
Formula: C25H34F3N7O
MW: 505.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.6
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass505.27769322
Monoisotopic Mass505.27769322
Topological Polar Surface Area79.2 Ų
Heavy Atom Count36
Formal Charge0
Complexity742
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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Alternative Products

CatalogName
HY-112148AKT-IN-2
MBS5815135PI3K/AKT-IN-2
HY-48682AKT ligand-2
GTR17962708Akt-2 Antibody
HY-169431VEGFR-2/AKT-IN-2
T60564-01PI3K/Akt/mTOR-IN-2
441094-01Akt-I-2 Hydrochloride
GTR19238316-01VEGFR-2/AKT-IN-1
562728Akt-I-1,2
MBS621504-01AKT 1/2/3

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