COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK513834
Chemical Name: 4-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]benzoicacid
Smiles: O=C(/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)N/N=C/c1ccc(cc1)C(=O)O

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Molecular Weight: 457.44
Empirical Formula: C25H19N3O6

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 5.443
Rotatable bonds: 4
H-donors: 3
H-acceptors: 6
PSA: 126
Number of rings: 4

     

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