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Ziritaxestat 10mg

CAT: 0628-A19312-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A19312-10Size:10 mg
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CAS Number
1628260-79-6

Chemical Information

Ziritaxestat

Ziritaxestat is under investigation in clinical trial NCT03798366 (A Clinical Study to Test How Effective and Safe GLPG1690 is for Patients With Systemic Sclerosis).

CAS Number1628260-79-6
PubChem CID90420193
IUPAC Name2-[[2-ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
Molecular FormulaC30H33FN8O2S
Molecular Weight588.7
XLogP4.8
Topological Polar Surface Area132
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity995
SMILES
CCC1=C(N2C=C(C=C(C2=N1)C)N3CCN(CC3)CC(=O)N4CC(C4)O)N(C)C5=NC(=C(S5)C#N)C6=CC=C(C=C6)F
InChI
InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3
InChIKey
REQQVBGILUTQNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ziritaxestat
CAS: 1628260-79-6
CID: 90420193
Formula: C30H33FN8O2S
MW: 588.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight588.7
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass588.24312166
Monoisotopic Mass588.24312166
Topological Polar Surface Area132 Ų
Heavy Atom Count42
Formal Charge0
Complexity995
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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