COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK190706
Chemical Name: 2-methoxy-4-[(E)-(2-{[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl}hydrazinylidene)methyl]phenyl4-nitrobenzoate
Smiles: COc1cc(/C=N/NC(=O)COc2ccc(cc2[N+](=O)[O-])C(CC(C)(C)C)(C)C)ccc1OC(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 606.63
Empirical Formula: C31H34N4O9

Physical State: Dry powder
Available Amount: 78 mg

Lipinsky:
logP: 8.28
Rotatable bonds: 9
H-donors: 1
H-acceptors: 9
PSA: 177
Number of rings: 3

     

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