COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK686633
Chemical Name: 4-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]thiophen-2-yl}-2-methyl-5-oxo-N-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: O=C1CCCC2=C1C(c1scc(c1)CSc1nc3c(s1)cccc3)C(=C(N2)C)C(=O)Nc1ccccc1

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Molecular Weight: 543.73
Empirical Formula: C29H25N3O2S3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.536
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 152
Number of rings: 6

     

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