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SBI-0206965

CAT: 0244-S7885-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0244-S7885-25mgSize:25 mg
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CAS Number
1884220-36-3

Chemical Information

Sbi-0206965

inhibits ULK1 kinase; structure in first source

CAS Number1884220-36-3
PubChem CID92044402
IUPAC Name2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide
Molecular FormulaC21H21BrN4O5
Molecular Weight489.3
XLogP3.8
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity560
SMILES
CNC(=O)C1=CC=CC=C1OC2=NC(=NC=C2Br)NC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C21H21BrN4O5/c1-23-19(27)13-7-5-6-8-15(13)31-20-14(22)11-24-21(26-20)25-12-9-16(28-2)18(30-4)17(10-12)29-3/h5-11H,1-4H3,(H,23,27)(H,24,25,26)
InChIKey
NEXGBSJERNQRSV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sbi-0206965
CAS: 1884220-36-3
CID: 92044402
Formula: C21H21BrN4O5
MW: 489.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight489.3
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass488.06953
Monoisotopic Mass488.06953
Topological Polar Surface Area104 Ų
Heavy Atom Count31
Formal Charge0
Complexity560
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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