COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK075453
Chemical Name: ethyl4-({(1Z)-8-methoxy-4,4-dimethyl-5-[(4-nitrophenyl)carbonyl]-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)/N=c/1\ssc2c1c1cc(OC)ccc1N(C2(C)C)C(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 575.67
Empirical Formula: C29H25N3O6S2

Physical State: Dry powder
Available Amount: 460 mg

Lipinsky:
logP: 8.089
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 164
Number of rings: 5

     

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