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Chemical structure of Milvexian

GC63873

Milvexian

Also known as (9R,13S)-13-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxopyrimidin-1-yl]-3-(difluoromethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one

Milvexian (BMS-986177), an effective antithrombotic agent, is an orally-bioavailable, reversible and direct inhibitor of human and rabbit factor XIa (FXIa) with Ki of 0·11, and 0·38 nM, respectively

ChemicalCAS1802425-99-5MW626.44FormulaC28H23Cl2F2N9O2
CAS number
1802425-99-5
Molecular weight
626.44
Formula
C28H23Cl2F2N9O2
Solubility
DMSO ： ≥ 100 mg/mL (159·63 mM)
InChIKey
FSWFYCYPTDLKON-CMJOXMDJSA-N
Catalogue number
GC63873
Brand
GLPBIO
Computed properties PubChem CID 118277544 · XLogP 4 · TPSA 123 Ų · H-bond donors 1
XLogP
4
TPSA
123 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
43

SMILES C[C@@H]1CCC[C@@H](C2=NC=CC(=C2)C3=C(C=NN3C(F)F)NC1=O)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N6C=C(N=N6)Cl

Computed descriptors from PubChem (CID 118277544), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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