COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK052637
Chemical Name: (2E)-4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}-4-oxobut-2-enoicacid
Smiles: OC(=O)/C=C/C(=O)Nc1ccc(cc1)c1sc2c(n1)ccc(c2)C

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Molecular Weight: 338.39
Empirical Formula: C18H14N2O3S

Physical State: Dry powder
Available Amount: 629 mg

Lipinsky:
logP: 4.247
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 107
Number of rings: 3

     

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