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Chemical structure of Anticancer agent 93

GC73378

Anticancer agent 93

Also known as 3-chloro-N-(4-hydroxy-2-oxochromen-3-yl)benzamide

Anticancer agent 93 is a 4-droxycoumarin derivative

ChemicalCAS94205-22-8MW315.71FormulaC16H10ClNO4
CAS number
94205-22-8
Molecular weight
315.71
Formula
C16H10ClNO4
Solubility
DMSO ： 100 mg/mL (316·75 mM; ultrasonic and warming and heat to 80°C)
InChIKey
OLUXHDREXNYHFH-UHFFFAOYSA-N
Catalogue number
GC73378
Brand
GLPBIO
Computed properties PubChem CID 54688435 · XLogP 2.9 · TPSA 75.6 Ų · H-bond donors 2
XLogP
2.9
TPSA
75.6 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22

SMILES C1=CC=C2C(=C1)C(=C(C(=O)O2)NC(=O)C3=CC(=CC=C3)Cl)O

Computed descriptors from PubChem (CID 54688435), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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