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Chemical structure of S65487

GC62554

S65487

Also known as 5-[5-chloro-2-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(4-hydroxyphenyl)-1,2-dimethylpyrrole-3-carboxamide

S65487 (VOB560), a potent and selective BCL-2 inhibitor, is a prodrug of S55746· S65487 is also active on BCL-2 mutations, such as G101V and D103Y· S65487 has poor affinity with MCL-1, BFL-1 and BCL-XL· S65487 induces apoptosis and has anticaner activities

ChemicalCAS1644600-79-2MW717.26FormulaC41H41ClN6O4
CAS number
1644600-79-2
Molecular weight
717.26
Formula
C41H41ClN6O4
InChIKey
VNNWQLOUMFCVJD-XIFFEERXSA-N
Catalogue number
GC62554
Brand
GLPBIO
Computed properties PubChem CID 112500313 · XLogP 5.5 · TPSA 107 Ų · H-bond donors 1
XLogP
5.5
TPSA
107 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
52

SMILES CC1=C(C=C(N1C)C2=C(C=CC(=C2)Cl)C(=O)N3CC4=CC=CC=C4C[C@H]3CN5CCOCC5)C(=O)N(C6=CC=C(C=C6)O)C7=C(N(C(=C7)C#N)C)C

Computed descriptors from PubChem (CID 112500313), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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