COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK061960
Chemical Name: dimethyl2-{1-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: COc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)/C=C/c1ccc(c(c1)OC)OC)(C)C

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Molecular Weight: 627.76
Empirical Formula: C30H29NO8S3

Physical State: Dry powder
Available Amount: 454 mg

Lipinsky:
logP: 5.904
Rotatable bonds: 9
H-donors: 0
H-acceptors: 8
PSA: 183
Number of rings: 4

     

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