COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK021576
Chemical Name: (2E)-1-(8-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-(4-nitrophenyl)prop-2-en-1-one
Smiles: COc1ccc2c(c1)c1c(=S)ssc1C(N2C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])(C)C

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Molecular Weight: 470.59
Empirical Formula: C22H18N2O4S3

Physical State: Dry powder
Available Amount: 456 mg

Lipinsky:
logP: 6.178
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 158
Number of rings: 4

     

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