COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK130000
Chemical Name: N-(4-fluorophenyl)-N-{2-[(2E)-2-(4-methoxy-3-nitrobenzylidene)hydrazinyl]-2-oxoethyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide(non-preferredname)
Smiles: COc1ccc(cc1[N+](=O)[O-])/C=N/NC(=O)CN(S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(cc1)F

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Molecular Weight: 544.52
Empirical Formula: C24H21FN4O8S

Physical State: Dry powder
Available Amount: 164 mg

Lipinsky:
logP: 4.75
Rotatable bonds: 6
H-donors: 1
H-acceptors: 8
PSA: 160
Number of rings: 4

     

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