COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL237103
Chemical Name: 4-{[(2Z)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)/N=C/1\SC2C(N1c1ccc(cc1)c1nc3c(s1)cc(cc3)C)CS(=O)(=O)C2

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Molecular Weight: 515.63
Empirical Formula: C23H21N3O5S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.357
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 178
Number of rings: 5

     

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