Luxdegalutamide
4-[4-[[1-[4-[[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-N-[(3S)-2,6-dioxopiperidin-3-yl]-2-fluorobenzamide
Molecular Identity
Luxdegalutamide
4-[4-[[1-[4-[[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-N-[(3S)-2,6-dioxopiperidin-3-yl]-2-fluorobenzamide
PubChem CID: 156504141
2D Structure
Properties
C45H54FN7O6
Molecular Formula
808.00
Molecular Weight
g/mol
807.4120
Exact Mass
Da
5.9
XLogP
Above Lipinski threshold
156
TPSA
May have limited oral absorption
3
H-Bond Donors
11
H-Bond Acceptors
1550
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C(C(C1OC2=CC(=C(C=C2)C#N)OC)(C)C)NC(=O)C3=CC=C(C=C3)N4CCC(CC4)CN5CCN(CC5)C6=CC(=C(C=C6)C(=O)NC7CCC(=O)NC7=O)F)CIsomeric SMILES
SMILES: CC1(C(C(C1OC2=CC(=C(C=C2)C#N)OC)(C)C)NC(=O)C3=CC=C(C=C3)N4CCC(CC4)CN5CCN(CC5)C6=CC(=C(C=C6)C(=O)N[C@H]7CCC(=O)NC7=O)F)CSynonyms(20)
Luxdegalutamide2750830-09-0ARV-7664-(4-((1-(4-((trans-3-(4-Cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl)carbamoyl)phenyl)piperidin-4-yl)methyl)piperazin-1-yl)-N-((S)-2,6-dioxopiperidin-3-yl)-2-fluorobenzamideARV7664-(4-((1-(4-(((1r,3r)-3-(4-Cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl)carbamoyl)phenyl)piperidin-4-yl)methyl)piperazin-1-yl)-N-((S)-2,6-dioxopiperidin-3-yl)-2-fluorobenzamideLuxdegalutamidaluxdegalutamide [INN]Luxdegalutamide [WHO-DD]Luxdegalutamide (USAN/INN)LUXDEGALUTAMIDE [USAN]5BD7R933PVorb1982295CHEMBL5314528SCHEMBL23536786
Data from PubChem (NCBI)
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Drug Network
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