COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK513857
Chemical Name: 4-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]-2-ethoxyphenyl4-nitrobenzoate
Smiles: CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)/NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 622.59
Empirical Formula: C33H26N4O9

Physical State: Dry powder
Available Amount: 166 mg

Lipinsky:
logP: 7.509
Rotatable bonds: 7
H-donors: 2
H-acceptors: 9
PSA: 170
Number of rings: 5

     

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