COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK508350
Chemical Name: methyl(4Z)-7-methoxy-2,2-dimethyl-4-[4-phenyl-5-(phenylcarbonyl)-1,3-dithiol-2-ylidene]-3-thioxo-3,4-dihydroquinoline-1(2H)-carboxylate
Smiles: COc1ccc2c(c1)N(C(=O)OC)C(C(=S)/C/2=C\1/SC(=C(S1)C(=O)c1ccccc1)c1ccccc1)(C)C

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Molecular Weight: 559.73
Empirical Formula: C30H25NO4S3

Physical State: Dry powder
Available Amount: 324 mg

Lipinsky:
logP: 8.044
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 138
Number of rings: 5

     

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