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CIDD 0067106

CAT: 1410-M13435-01Size: 1 EachDry Ice: NoHazardous: No
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Description
CIDD 0067106 is a novel natural product-based diaryloxazole that potent and selective antiproliferative activities against androgen receptor-positive breast cancer cells.
CAS Number
2151865-39-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
483.99
Molecular Formula
C26H30ClN3O4
Notes
Research use only, not for human use.
Receptor
MTOR

Chemical Information

Methyl ((6-(5-(4-((3-methylbut-2-en-1-yl)oxy)phenyl)oxazol-2-yl)pyridin-3-yl)methyl)-L-prolinate
CAS Number2151865-39-1
PubChem CID137635377
IUPAC Namemethyl (2S)-1-[[6-[5-[4-(3-methylbut-2-enoxy)phenyl]-1,3-oxazol-2-yl]-3-pyridinyl]methyl]pyrrolidine-2-carboxylate
Molecular FormulaC26H29N3O4
Molecular Weight447.5
XLogP4.4
Topological Polar Surface Area77.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity660
SMILES
CC(=CCOC1=CC=C(C=C1)C2=CN=C(O2)C3=NC=C(C=C3)CN4CCC[C@H]4C(=O)OC)C
InChI
InChI=1S/C26H29N3O4/c1-18(2)12-14-32-21-9-7-20(8-10-21)24-16-28-25(33-24)22-11-6-19(15-27-22)17-29-13-4-5-23(29)26(30)31-3/h6-12,15-16,23H,4-5,13-14,17H2,1-3H3/t23-/m0/s1
InChIKey
KWCAEMFGVDPGNT-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of Methyl ((6-(5-(4-((3-methylbut-2-en-1-yl)oxy)phenyl)oxazol-2-yl)pyridin-3-yl)methyl)-L-prolinate
CAS: 2151865-39-1
CID: 137635377
Formula: C26H29N3O4
MW: 447.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.5
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass447.21580641
Monoisotopic Mass447.21580641
Topological Polar Surface Area77.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity660
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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MBS5812408CIDD-0067106
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