COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK513860
Chemical Name: 4-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]-2-ethoxyphenyl4-bromobenzoate
Smiles: CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)/NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(cc1)Br

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Molecular Weight: 656.49
Empirical Formula: C33H26BrN3O7

Physical State: Dry powder
Available Amount: 142 mg

Lipinsky:
logP: 8.488
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 124
Number of rings: 5

     

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