COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK537659
Chemical Name: (2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1C(=O)c1ccccc1)Cl)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

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Molecular Weight: 588.87
Empirical Formula: C28H15BrClN3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.813
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 120
Number of rings: 5

     

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