COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL510599
Chemical Name: (1Z)-6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-8-methoxy-4,4-dimethyl-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Smiles: COc1cc2C(=CC(N3c2c(c1)/C(=C\1/SC(=S)NC1=O)/C3=O)(C)C)CN1CCN(CC1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 590.72
Empirical Formula: C30H30N4O5S2

Physical State: Dry powder
Available Amount: 41 mg

Lipinsky:
logP: 1.126
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 140
Number of rings: 7

     

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