COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK781100
Chemical Name: methyl2-amino-4-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]thiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Smiles: COC(=O)C1=C(N)OC2=C(C1c1scc(c1)CSc1nc3c(s1)cccc3)C(=O)CCC2

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Molecular Weight: 484.62
Empirical Formula: C23H20N2O4S3

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 3.539
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 173
Number of rings: 5

     

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