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CP-547632 1mg

CAT: 0628-A11772-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A11772-1Size:1 mg
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CAS Number
252003-65-9

Chemical Information

Cp-547632

CP-547632 has been used in trials studying the treatment of Ovarian Cancer, Lung Neoplasms, Ovarian Neoplasms, Peritoneal Neoplasms, and Fallopian Tube Cancer, among others.

CAS Number252003-65-9
PubChem CID9811611
IUPAC Name3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxamide
Molecular FormulaC20H24BrF2N5O3S
Molecular Weight532.4
XLogP3.7
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity622
SMILES
C1CCN(C1)CCCCNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3F)Br)F)C(=O)N
InChI
InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
InChIKey
HXHAJRMTJXHJJZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cp-547632
CAS: 252003-65-9
CID: 9811611
Formula: C20H24BrF2N5O3S
MW: 532.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight532.4
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass531.07513
Monoisotopic Mass531.07513
Topological Polar Surface Area138 Ų
Heavy Atom Count32
Formal Charge0
Complexity622
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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