COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565457
Chemical Name: N-[(2Z)-5-{2-[(2E)-2-{2-[2-(4-tert-butylphenoxy)ethoxy]-5-nitrobenzylidene}hydrazinyl]-2-oxoethyl}-1,3,4-thiadiazol-2(3H)-ylidene]-2-methylbenzamide
Smiles: O=C(Cc1n[nH]/c(=N/C(=O)c2ccccc2C)/s1)N/N=C/c1cc(ccc1OCCOc1ccc(cc1)C(C)(C)C)[N+](=O)[O-]

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Molecular Weight: 616.7
Empirical Formula: C31H32N6O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.624
Rotatable bonds: 9
H-donors: 2
H-acceptors: 6
PSA: 184
Number of rings: 4

     

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