COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK037027
Chemical Name: ethyl(2Z)-2-(2,2-dimethyl-3-thioxo-6-trityl-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Smiles: CCOC(=O)C1=C(S/C(=C/2\c3cc(ccc3NC(C2=S)(C)C)C(c2ccccc2)(c2ccccc2)c2ccccc2)/S1)c1ccccc1

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Molecular Weight: 681.94
Empirical Formula: C42H35NO2S3

Physical State: Dry powder
Available Amount: 460 mg

Lipinsky:
logP: 11.712
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 121
Number of rings: 7

     

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