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Chemical structure of Lurbinectedin

GC32834

Lurbinectedin

Also listed as Lurbinectedin (PM01183)

Lurbinectedin (PM01183) (PM01183) is a DNA minor groove covalent binder with potent anti-tumour activity; inhibits RMG1 and RMG2 cell growth with IC50 values of 1·25 and 1·16 nM, respectively

ChemicalCAS497871-47-3MW784.87FormulaC41H44N4O10S
CAS number
497871-47-3
Molecular weight
784.87
Formula
C41H44N4O10S
Solubility
Soluble in DMSO
InChIKey
YDDMIZRDDREKEP-HWTBNCOESA-N
Catalogue number
GC32834
Brand
GLPBIO
Computed properties PubChem CID 57327016 · XLogP 3.9 · TPSA 190 Ų · H-bond donors 4
XLogP
3.9
TPSA
190 Ų
H-bond donors
4
H-bond acceptors
14
Rotatable bonds
4
Heavy atoms
56

SMILES CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=C(CCN8)C2=C(N9)C=CC(=C2)OC)OCO7)C)OC(=O)C)C(=C1OC)O

Computed descriptors from PubChem (CID 57327016), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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