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AMG 548

CAT: 0926-PJB24960-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-PJB24960-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
864249-60-5
Smiles
CN1C (=O) C (=C (N=C1NC[C@H] (CC2=CC=CC=C2) N) C3=CC=NC=C3) C4=CC5=CC=CC=C5C=C4
Molecular Formula
C29H27N5O
Molecular Weight
461.56 g/mol
Controlled
No

Chemical Information

Amg-548
CAS Number864249-60-5
PubChem CID11167112
IUPAC Name2-[[(2S)-2-amino-3-phenylpropyl]amino]-3-methyl-5-naphthalen-2-yl-6-pyridin-4-ylpyrimidin-4-one
Molecular FormulaC29H27N5O
Molecular Weight461.6
XLogP3.8
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity795
SMILES
CN1C(=O)C(=C(N=C1NC[C@H](CC2=CC=CC=C2)N)C3=CC=NC=C3)C4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C29H27N5O/c1-34-28(35)26(24-12-11-21-9-5-6-10-23(21)18-24)27(22-13-15-31-16-14-22)33-29(34)32-19-25(30)17-20-7-3-2-4-8-20/h2-16,18,25H,17,19,30H2,1H3,(H,32,33)/t25-/m0/s1
InChIKey
RQVKVJIRFKVPBF-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of Amg-548
CAS: 864249-60-5
CID: 11167112
Formula: C29H27N5O
MW: 461.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.6
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass461.22156050
Monoisotopic Mass461.22156050
Topological Polar Surface Area83.6 Ų
Heavy Atom Count35
Formal Charge0
Complexity795
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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