COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL290972
Chemical Name: 2-[(1,1-dioxido-1,2-benzothiazol-3-yl)(3-methylphenyl)amino]ethyl3,4,5-trimethoxybenzoate
Smiles: COc1cc(cc(c1OC)OC)C(=O)OCCN(C1=NS(=O)(=O)c2c1cccc2)c1cccc(c1)C

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Molecular Weight: 510.57
Empirical Formula: C26H26N2O7S

Physical State: Dry powder
Available Amount: 242 mg

Lipinsky:
logP: 4.418
Rotatable bonds: 6
H-donors: 0
H-acceptors: 7
PSA: 104
Number of rings: 4

     

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