COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK362105
Chemical Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl4-chlorobenzenesulfonate
Smiles: N#C/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)Cl)/c1nc2c(s1)cccc2

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Molecular Weight: 452.94
Empirical Formula: C22H13ClN2O3S2

Physical State: Dry powder
Available Amount: 95 mg

Lipinsky:
logP: 6.489
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 116
Number of rings: 4

     

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