COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK783996
Chemical Name: methyl6-amino-4-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-5-methylthiophen-2-yl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Smiles: COC(=O)C1=C(C)OC(=C(C1c1sc(c(c1)CSc1nc2c(s1)cccc2)C)C#N)N

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Molecular Weight: 469.61
Empirical Formula: C22H19N3O3S3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.354
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 180
Number of rings: 4

     

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