Sonrotoclax
N-[4-[(4-hydroxy-4-methylcyclohexyl)methylamino]-3-nitrophenyl]sulfonyl-4-[2-[(2S)-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Molecular Identity
Sonrotoclax
N-[4-[(4-hydroxy-4-methylcyclohexyl)methylamino]-3-nitrophenyl]sulfonyl-4-[2-[(2S)-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
PubChem CID: 149553242
2D Structure
Properties
C49H59N7O7S
Molecular Formula
890.10
Molecular Weight
g/mol
889.4197
Exact Mass
Da
9.1
XLogP
Above Lipinski threshold
194
TPSA
May have limited oral absorption
4
H-Bond Donors
11
H-Bond Acceptors
1700
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C1=CC=CC=C1C2CCCN2C3CC4(C3)CCN(CC4)C5=CC(=C(C=C5)C(=O)NS(=O)(=O)C6=CC(=C(C=C6)NCC7CCC(CC7)(C)O)[N+](=O)[O-])OC8=CN=C9C(=C8)C=CN9Isomeric SMILES
SMILES: CC(C)C1=CC=CC=C1[C@@H]2CCCN2C3CC4(C3)CCN(CC4)C5=CC(=C(C=C5)C(=O)NS(=O)(=O)C6=CC(=C(C=C6)NCC7CCC(CC7)(C)O)[N+](=O)[O-])OC8=CN=C9C(=C8)C=CN9Synonyms(20)
Sonrotoclax2383086-06-2BGB-11417BGB11417Beqalzi30R67U9KYSBgb 11417N-[4-[(4-hydroxy-4-methylcyclohexyl)methylamino]-3-nitrophenyl]sulfonyl-4-[2-[(2S)-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide98Isonrotoclax [INN]Beqalzi (TN)Sonrotoclax [WHO-DD]Sonrotoclax (USAN/INN)SONROTOCLAX [USAN]orb1982765
Data from PubChem (NCBI)
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