COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL482721
Chemical Name: (2E)-1-(4,4-dimethyl-1-thioxo-1,4,8,9-tetrahydro-5H-[1,4]dioxino[2,3-g][1,2]dithiolo[3,4-c]quinolin-5-yl)-3-phenylprop-2-en-1-one
Smiles: O=C(N1c2cc3OCCOc3cc2c2c(C1(C)C)ssc2=S)/C=C/c1ccccc1

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Molecular Weight: 453.61
Empirical Formula: C23H19NO3S3

Physical State: Dry powder
Available Amount: 72 mg

Lipinsky:
logP: 6.18
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 121
Number of rings: 5

     

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