COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK870798
Chemical Name: 4,4,8-trimethyl-1-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium
Smiles: Cc1ccc2c(c1)c1c(SCC(=O)c3ccc(cc3)[N+](=O)[O-])[s+]sc1C(N2)(C)C

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Molecular Weight: 443.59
Empirical Formula: C21H19N2O3S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 128
Number of rings: 4

     

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