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Balicatib 500mg

CAT: 0628-A12020-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A12020-500Size:500 mg
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CAS Number
354813-19-7

Chemical Information

Balicatib

Balicatib has been used in trials studying the treatment of Osteoporosis and Knee Osteoarthritis.

CAS Number354813-19-7
PubChem CID10201696
IUPAC NameN-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propylpiperazin-1-yl)benzamide
Molecular FormulaC23H33N5O2
Molecular Weight411.5
XLogP2.8
Topological Polar Surface Area88.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity621
SMILES
CCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3(CCCCC3)C(=O)NCC#N
InChI
InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)
InChIKey
LLCRBOWRJOUJAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Balicatib
CAS: 354813-19-7
CID: 10201696
Formula: C23H33N5O2
MW: 411.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.5
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass411.26342531
Monoisotopic Mass411.26342531
Topological Polar Surface Area88.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity621
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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