Alxn2080
(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
Molecular Identity
Alxn2080
(1R,3S,5R)-2-[2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID: 135318628
2D Structure
Properties
C31H31BrN6O3
Molecular Formula
615.50
Molecular Weight
g/mol
614.1641
Exact Mass
Da
4.6
XLogP
Drug-like (Lipinski: < 5)
110
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
1040
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(N=C(C=C1)Br)NC(=O)C2CC3(CC3N2C(=O)CN4C=C(C5=C4C(=CC(=C5)C6=CN=C(N=C6)C)C)C(=O)C)CIsomeric SMILES
SMILES: CC1=C(N=C(C=C1)Br)NC(=O)[C@@H]2C[C@]3(C[C@H]3N2C(=O)CN4C=C(C5=C4C(=CC(=C5)C6=CN=C(N=C6)C)C)C(=O)C)CSynonyms(20)
Alxn20802243483-63-6RefChem:556853887-547-6ZoracopanALXN-2080zoracopan [INN]E7799Y8LXYorb2564434CHEMBL6017042SCHEMBL20488471SCHEMBL30451813BDBM512076EX-A14103US11084800, Cpd No. 426
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Alxn2080
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