COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK180734
Chemical Name: 4-{[(1,1-dioxido-1,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}-2-methoxyphenyl2-bromobenzoate
Smiles: COc1cc(ccc1OC(=O)c1ccccc1Br)CN(C1=NS(=O)(=O)c2c1cccc2)c1ccc(cc1)C

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Molecular Weight: 591.48
Empirical Formula: C29H23BrN2O5S

Physical State: Dry powder
Available Amount: 1024 mg

Lipinsky:
logP: 6.015
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 85
Number of rings: 5

     

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