COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK852619
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-[(2Z)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]prop-2-enamide
Smiles: O=C(/N=c/1\sc2c([nH]1)ccc(c2)S(=O)(=O)C)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 402.45
Empirical Formula: C18H14N2O5S2

Physical State: Dry powder
Available Amount: 119 mg

Lipinsky:
logP: 3.115
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 127
Number of rings: 4

     

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