COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK136906
Chemical Name: (1Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
Smiles: COc1cc(/C=C/C(=O)Oc2cc3C(=CC(N4c3c(c2)/C(=C\2/SC(=S)NC2=O)/C4=O)(C)C)C)ccc1OC

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Molecular Weight: 548.64
Empirical Formula: C28H24N2O6S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 2.603
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 151
Number of rings: 5

     

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