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Chemical structure of Anticancer agent 7

GC62563

Anticancer agent 7

Also known as N-[(3R,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide

Anticancer agent 7 (Example 5) is an anti-cancer agent with an IC50 of 5 μM for H1650 lung cancer cells

ChemicalCAS2088956-21-0MW575.38FormulaC24H19Cl2F3N2O5S
CAS number
2088956-21-0
Molecular weight
575.38
Formula
C24H19Cl2F3N2O5S
Solubility
DMSO ： 100 mg/mL (173·80 mM; Need ultrasonic)
InChIKey
XXCAYCBBVUGGDY-OIBXWCBGSA-N
Catalogue number
GC62563
Brand
GLPBIO
Computed properties PubChem CID 126694105 · XLogP 5.5 · TPSA 98.2 Ų · H-bond donors 2
XLogP
5.5
TPSA
98.2 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
37

SMILES C1[C@H]([C@@H]([C@H](CO1)N2C3=C(C=C(C=C3)Cl)C4=C2C=CC(=C4)Cl)O)NS(=O)(=O)C5=CC=C(C=C5)OC(F)(F)F

Computed descriptors from PubChem (CID 126694105), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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