COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK041335
Chemical Name: dimethyl2-(1-butanoyl-7-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Smiles: CCCC(=O)N1c2cc(OC)ccc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(C)C

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Molecular Weight: 507.65
Empirical Formula: C23H25NO6S3

Physical State: Dry powder
Available Amount: 457 mg

Lipinsky:
logP: 5.144
Rotatable bonds: 7
H-donors: 0
H-acceptors: 6
PSA: 164
Number of rings: 3

     

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