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Exicorilant

CAT: 0926-GWC24477-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-GWC24477-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1781244-77-6
Smiles
CN1N=CC (=N1) S (=O) (=O) N2CCC3CC4=C (CC3 (C2) C (=O) C5=NC=CC (=C5) C (F) (F) F) C=NN4C6=CC=C (C=C6) F
Molecular Formula
C26H23F4N7O3S
Molecular Weight
589.6 g/mol
Controlled
No

Chemical Information

Exicorilant

Exicorilant is under investigation in clinical trial NCT03437941 (Study to Evaluate CORT125281 in Combination With Enzalutamide in Patients With Mcrpc).

CAS Number1781244-77-6
PubChem CID118092367
IUPAC Name[(4aR,8aS)-1-(4-fluorophenyl)-6-(2-methyltriazol-4-yl)sulfonyl-4,5,7,8,8a,9-hexahydropyrazolo[5,4-g]isoquinolin-4a-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone
Molecular FormulaC26H23F4N7O3S
Molecular Weight589.6
XLogP3.5
Topological Polar Surface Area124
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count41
Formal Charge0
Complexity1090
SMILES
CN1N=CC(=N1)S(=O)(=O)N2CC[C@H]3CC4=C(C[C@@]3(C2)C(=O)C5=NC=CC(=C5)C(F)(F)F)C=NN4C6=CC=C(C=C6)F
InChI
InChI=1S/C26H23F4N7O3S/c1-35-32-14-23(34-35)41(39,40)36-9-7-17-11-22-16(13-33-37(22)20-4-2-19(27)3-5-20)12-25(17,15-36)24(38)21-10-18(6-8-31-21)26(28,29)30/h2-6,8,10,13-14,17H,7,9,11-12,15H2,1H3/t17-,25-/m0/s1
InChIKey
HWJYJKAURRIWJM-GKVSMKOHSA-N
Chemical Structure
2D Structure
2D structure of Exicorilant
CAS: 1781244-77-6
CID: 118092367
Formula: C26H23F4N7O3S
MW: 589.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight589.6
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass589.15192144
Monoisotopic Mass589.15192144
Topological Polar Surface Area124 Ų
Heavy Atom Count41
Formal Charge0
Complexity1090
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

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A18620-50Exicorilant 50mg
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