COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL021384
Chemical Name: (2Z)-2-cyano-2-[7-(3,4-dichlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-ylidene]ethanamide
Smiles: N#C/C(=C\1/Sc2c(O1)c(cc(c2)O)c1ccc(c(c1)Cl)Cl)/C(=O)N

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Molecular Weight: 379.22
Empirical Formula: C16H8Cl2N2O3S

Physical State: Dry powder
Available Amount: 115 mg

Lipinsky:
logP: 1.042
Rotatable bonds: 3
H-donors: 3
H-acceptors: 3
PSA: 121
Number of rings: 3

     

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