COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK335889
Chemical Name: 3-{[({5-[(2,4-dichlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}-5-nitrobenzoicacid
Smiles: O=C(Nc1cc(cc(c1)C(=O)O)[N+](=O)[O-])CSc1nnc(s1)COc1ccc(cc1Cl)Cl

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Molecular Weight: 515.35
Empirical Formula: C18H12Cl2N4O6S2

Physical State: Dry powder
Available Amount: 39 mg

Lipinsky:
logP: 6.076
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 200
Number of rings: 3

     

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