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Belizatinib 25mg

CAT: 0628-A20919-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A20919-25Size:25 mg
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CAS Number
1357920-84-3

Chemical Information

Tsr-011

See also: Belizatinib (annotation moved to).

CAS Number1357920-84-3
PubChem CID57345941
IUPAC Name4-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide
Molecular FormulaC33H44FN5O3
Molecular Weight577.7
XLogP4.5
Topological Polar Surface Area99.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count42
Formal Charge0
Complexity909
SMILES
CC(C)NC(=O)C1CCC(CC1)N2C3=C(C=CC(=C3)CN4CCC(CC4)C(C)(C)O)N=C2NC(=O)C5=CC=C(C=C5)F
InChI
InChI=1S/C33H44FN5O3/c1-21(2)35-30(40)24-8-12-27(13-9-24)39-29-19-22(20-38-17-15-25(16-18-38)33(3,4)42)5-14-28(29)36-32(39)37-31(41)23-6-10-26(34)11-7-23/h5-7,10-11,14,19,21,24-25,27,42H,8-9,12-13,15-18,20H2,1-4H3,(H,35,40)(H,36,37,41)
InChIKey
WSTUJEXAPHIEIM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tsr-011
CAS: 1357920-84-3
CID: 57345941
Formula: C33H44FN5O3
MW: 577.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight577.7
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass577.34281844
Monoisotopic Mass577.34281844
Topological Polar Surface Area99.5 Ų
Heavy Atom Count42
Formal Charge0
Complexity909
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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