COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK513865
Chemical Name: 4-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]-2-methoxy-3-nitrophenylacetate
Smiles: COc1c(ccc(c1[N+](=O)[O-])/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)OC(=O)C

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Molecular Weight: 546.49
Empirical Formula: C27H22N4O9

Physical State: Dry powder
Available Amount: 116 mg

Lipinsky:
logP: 5.38
Rotatable bonds: 6
H-donors: 2
H-acceptors: 9
PSA: 170
Number of rings: 4

     

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