COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK781011
Chemical Name: methyl4-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]thiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COC(=O)C1=C(C)NC2=C(C1c1scc(c1)CSc1nc3c(s1)cccc3)C(=O)CCC2

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Molecular Weight: 482.65
Empirical Formula: C24H22N2O3S3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.98
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 150
Number of rings: 5

     

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