COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL559442
Chemical Name: (1Z)-1-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)-4,4,6-trimethyl-2-oxo-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)N=C1O)/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: 300 mg

Lipinsky:
logP: 3.883
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 182
Number of rings: 5

     

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