COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL375775
Chemical Name: 2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-nitrobenzaldehyde
Smiles: O=Cc1cc(ccc1Sc1nnc(n1CC)c1cccc(c1)Cl)[N+](=O)[O-]

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Molecular Weight: 388.83
Empirical Formula: C17H13ClN4O3S

Physical State: Dry powder
Available Amount: 1530 mg

Lipinsky:
logP: 6.036
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 118
Number of rings: 3

     

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