2158322-33-7
N-[2-[2-[2-[2-[4-[(Z)-1-[4-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-oxoethoxy]ethoxy]ethyl]-4-[(3S,4S)-7-cyano-1-[(2-methoxynaphthalen-1-yl)methyl]-4-methyl-3-[[(2S)-2-(methylamino)propanoyl]amino]-2-oxo-3,4-dihydro-1,5-benzodiazepine-5-carbonyl]benzamide
Molecular Identity
2158322-33-7
N-[2-[2-[2-[2-[4-[(Z)-1-[4-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-oxoethoxy]ethoxy]ethyl]-4-[(3S,4S)-7-cyano-1-[(2-methoxynaphthalen-1-yl)methyl]-4-methyl-3-[[(2S)-2-(methylamino)propanoyl]amino]-2-oxo-3,4-dihydro-1,5-benzodiazepine-5-carbonyl]benzamide
PubChem CID: 132144829
2D Structure
Properties
C94H107N13O16
Molecular Formula
1674.90
Molecular Weight
g/mol
1674.7992
Exact Mass
Da
10.2
XLogP
Above Lipinski threshold
381
TPSA
May have limited oral absorption
8
H-Bond Donors
18
H-Bond Acceptors
3550
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(12)
2158322-33-7PACPROTAC ER|A Degrader-5SCHEMBL19616611SCHEMBL19616614EX-A11880AKOS037653332AKOS040743749DA-66442HY-112100CS-0043348G16315
Data from PubChem (NCBI)
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