COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK047382
Chemical Name: 1-[(4Z)-4-(4-acetyl-5-phenyl-1,3-dithiol-2-ylidene)-2,2,6-trimethyl-3-thioxo-3,4-dihydroquinolin-1(2H)-yl]-2-phenylethanone
Smiles: Cc1ccc2c(c1)/C(=C/1\SC(=C(S1)C(=O)C)c1ccccc1)/C(=S)C(N2C(=O)Cc1ccccc1)(C)C

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Molecular Weight: 541.76
Empirical Formula: C31H27NO2S3

Physical State: Dry powder
Available Amount: 427 mg

Lipinsky:
logP: 7.979
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 120
Number of rings: 5

     

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