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Cedirogant

CAT: 0127-BUP03129-06Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP03129-06Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2055496-11-0
Synonyms
ABBV-157
Purity
=98%
Smiles
OC(=O)CC1CCN(CC1)C(=O)c1ccc(Cl)c(Cn2ccc3cc(cc(Cl)c23)C(F)(F)F)c1Cl

Chemical Information

Cedirogant

Cedirogant is under investigation in clinical trial NCT05044234 (A Study to Assess Adverse Events and Disease Activity With Cedirogant (ABBV-157) in Adult Participants With Moderate to Severe Psoriasis).

CAS Number2055496-11-0
PubChem CID124123797
IUPAC Name2-[1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]acetic acid
Molecular FormulaC24H20Cl3F3N2O3
Molecular Weight547.8
XLogP6.1
Topological Polar Surface Area62.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity781
SMILES
C1CN(CCC1CC(=O)O)C(=O)C2=C(C(=C(C=C2)Cl)CN3C=CC4=CC(=CC(=C43)Cl)C(F)(F)F)Cl
InChI
InChI=1S/C24H20Cl3F3N2O3/c25-18-2-1-16(23(35)31-6-3-13(4-7-31)9-20(33)34)21(27)17(18)12-32-8-5-14-10-15(24(28,29)30)11-19(26)22(14)32/h1-2,5,8,10-11,13H,3-4,6-7,9,12H2,(H,33,34)
InChIKey
MNEOHCYSHVKLIC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cedirogant
CAS: 2055496-11-0
CID: 124123797
Formula: C24H20Cl3F3N2O3
MW: 547.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight547.8
XLogP36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass546.049160
Monoisotopic Mass546.049160
Topological Polar Surface Area62.5 Ų
Heavy Atom Count35
Formal Charge0
Complexity781
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

Alternative Products

CatalogName
BA8318-1Cedirogant

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