COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040564
Chemical Name: methyl[(5E)-5-{[(4-nitrophenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
Smiles: COC(=O)Cc1n[nH]/c(=N\C(=O)c2ccc(cc2)[N+](=O)[O-])/s1

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Molecular Weight: 322.3
Empirical Formula: C12H10N4O5S

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 1.157
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 151
Number of rings: 2

     

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