COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK180078
Chemical Name: 2-{[(1,1-dioxido-1,2-benzothiazol-3-yl)(4-methylphenyl)amino]methyl}phenyl(2E)-3-(4-methoxyphenyl)prop-2-enoate
Smiles: COc1ccc(cc1)/C=C/C(=O)Oc1ccccc1CN(C1=NS(=O)(=O)c2c1cccc2)c1ccc(cc1)C

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Molecular Weight: 538.62
Empirical Formula: C31H26N2O5S

Physical State: Dry powder
Available Amount: 537 mg

Lipinsky:
logP: 6.167
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 85
Number of rings: 5

     

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