COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK136850
Chemical Name: dimethyl2-{7-methoxy-1-[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: COc1ccc2c(c1)N(C(=O)/C=C/c1ccc(cc1)OC)C(C(=S)/C/2=C/1\SC(=C(S1)C(=O)OC)C(=O)OC)(C)C

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Molecular Weight: 597.73
Empirical Formula: C29H27NO7S3

Physical State: Dry powder
Available Amount: 383 mg

Lipinsky:
logP: 5.992
Rotatable bonds: 6
H-donors: 0
H-acceptors: 7
PSA: 174
Number of rings: 4

     

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