COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789042
Chemical Name: dimethyl2-[(3Z)-3-(benzylimino)-6-methoxy-2,2-dimethyl-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C\2/c3cc(OC)ccc3NC(/C2=N\Cc2ccccc2)(C)C)/S1)C(=O)OC

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Molecular Weight: 510.63
Empirical Formula: C26H26N2O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.473
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 136
Number of rings: 4

     

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