COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK034578
Chemical Name: diethyl2-{2,2,7-trimethyl-1-[(2E)-3-phenylprop-2-enoyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: CCOC(=O)C1=C(S/C(=C/2\c3ccc(cc3N(C(C2=S)(C)C)C(=O)/C=C/c2ccccc2)C)/S1)C(=O)OCC

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Molecular Weight: 579.76
Empirical Formula: C30H29NO5S3

Physical State: Dry powder
Available Amount: 435 mg

Lipinsky:
logP: 7.624
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 155
Number of rings: 4

     

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