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NVP-AEW541 50mg

CAT: 0628-A11021-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A11021-50Size:50 mg
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CAS Number
475489-16-8

Chemical Information

Nvp-aew541

significantly inhibited tumor growth of Ewing's sarcoma xenografts in nude mice

CAS Number475489-16-8
PubChem CID11476171
IUPAC Name7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
Molecular FormulaC27H29N5O
Molecular Weight439.6
XLogP4.2
Topological Polar Surface Area69.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity632
SMILES
C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6
InChI
InChI=1S/C27H29N5O/c28-26-25-24(21-8-4-9-23(14-21)33-17-19-6-2-1-3-7-19)16-32(27(25)30-18-29-26)22-12-20(13-22)15-31-10-5-11-31/h1-4,6-9,14,16,18,20,22H,5,10-13,15,17H2,(H2,28,29,30)
InChIKey
AECDBHGVIIRMOI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nvp-aew541
CAS: 475489-16-8
CID: 11476171
Formula: C27H29N5O
MW: 439.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.6
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass439.23721057
Monoisotopic Mass439.23721057
Topological Polar Surface Area69.2 Ų
Heavy Atom Count33
Formal Charge0
Complexity632
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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CatalogName
B1335-5NVP-AEW541

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