COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK139021
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-nitrophenyl)prop-2-enoate
Smiles: O=C(Oc1cc2C(=CC(N3c2c(c1)/C(=C\1/SC(=S)NC1=O)/C3=O)(C)C)C)/C=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 533.59
Empirical Formula: C26H19N3O6S2

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 2.677
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 178
Number of rings: 5

     

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