COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK513861
Chemical Name: 3-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]phenyl4-nitrobenzoate
Smiles: O=C(/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)N/N=C/c1cccc(c1)OC(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 578.54
Empirical Formula: C31H22N4O8

Physical State: Dry powder
Available Amount: 223 mg

Lipinsky:
logP: 6.841
Rotatable bonds: 5
H-donors: 2
H-acceptors: 8
PSA: 161
Number of rings: 5

     

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