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Labuxtinib

CAT: 0127-BUP08522-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP08522-05Size:100 mg
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CAS Number
1426449-01-5
Purity
=98%
Smiles
C(NC1=CC(=CC=C1C)C=2N=C(ON2)[C@@H]3[C@@H](F)C3)(=O)C=4N5C(=NC4)C=CC=C5

Chemical Information

Labuxtinib

Labuxtinib is a small molecule drug. The usage of the INN stem '-tinib' in the name indicates that Labuxtinib is a tyrosine kinase inhibitor. Labuxtinib has a monoisotopic molecular weight of 377.13 Da.

CAS Number1426449-01-5
PubChem CID71280305
IUPAC NameN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
Molecular FormulaC20H16FN5O2
Molecular Weight377.4
XLogP3.8
Topological Polar Surface Area85.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity595
SMILES
CC1=C(C=C(C=C1)C2=NOC(=N2)[C@H]3C[C@@H]3F)NC(=O)C4=CN=C5N4C=CC=C5
InChI
InChI=1S/C20H16FN5O2/c1-11-5-6-12(18-24-20(28-25-18)13-9-14(13)21)8-15(11)23-19(27)16-10-22-17-4-2-3-7-26(16)17/h2-8,10,13-14H,9H2,1H3,(H,23,27)/t13-,14-/m0/s1
InChIKey
RHNJOZCVGSBEAG-KBPBESRZSA-N
Chemical Structure
2D Structure
2D structure of Labuxtinib
CAS: 1426449-01-5
CID: 71280305
Formula: C20H16FN5O2
MW: 377.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.4
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass377.12880293
Monoisotopic Mass377.12880293
Topological Polar Surface Area85.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity595
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA8872-1Labuxtinib

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