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Ki 20227 1mg

CAT: 0628-A11472-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A11472-1Size:1 mg
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CAS Number
623142-96-1

Chemical Information

Ki-20227
CAS Number623142-96-1
PubChem CID9869779
IUPAC Name1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
Molecular FormulaC24H24N4O5S
Molecular Weight480.5
XLogP3.6
Topological Polar Surface Area132
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity661
SMILES
CC(C1=NC=CS1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)OC
InChI
InChI=1S/C24H24N4O5S/c1-14(23-26-9-10-34-23)27-24(29)28-17-6-5-15(11-20(17)30-2)33-19-7-8-25-18-13-22(32-4)21(31-3)12-16(18)19/h5-14H,1-4H3,(H2,27,28,29)
InChIKey
SHPFDGWALWEPGS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ki-20227
CAS: 623142-96-1
CID: 9869779
Formula: C24H24N4O5S
MW: 480.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight480.5
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass480.14674105
Monoisotopic Mass480.14674105
Topological Polar Surface Area132 Ų
Heavy Atom Count34
Formal Charge0
Complexity661
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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