COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL510601
Chemical Name: (1Z)-6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-8-fluoro-4,4-dimethyl-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Smiles: S=C1NC(=O)/C(=C\2/C(=O)N3c4c2cc(F)cc4C(=CC3(C)C)CN2CCN(CC2)Cc2ccc3c(c2)OCO3)/S1

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Molecular Weight: 578.69
Empirical Formula: C29H27FN4O4S2

Physical State: Dry powder
Available Amount: 73 mg

Lipinsky:
logP: 2.35
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 131
Number of rings: 7

     

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