COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK870937
Chemical Name: (2E)-3-(4-methoxyphenyl)-1-(4,4,7-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one
Smiles: COc1ccc(cc1)/C=C/C(=O)N1c2cc(C)ccc2c2c(C1(C)C)ssc2=S

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Molecular Weight: 439.62
Empirical Formula: C23H21NO2S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.83
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 112
Number of rings: 4

     

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