COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK640352
Chemical Name: (2E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one
Smiles: O=C(N1c2c(C)cccc2c2c(C1(C)C)ssc2=S)/C=C/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 454.59
Empirical Formula: C22H18N2O3S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.663
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 148
Number of rings: 4

     

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