COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK019554
Chemical Name: dimethyl2-{2,2,6-trimethyl-1-[(2E)-3-(4-nitrophenyl)prop-2-enoyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C/2\c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])/S1)C(=O)OC

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Molecular Weight: 596.71
Empirical Formula: C28H24N2O7S3

Physical State: Dry powder
Available Amount: 450 mg

Lipinsky:
logP: 6.34
Rotatable bonds: 5
H-donors: 0
H-acceptors: 7
PSA: 201
Number of rings: 4

     

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