COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK434068
Chemical Name: N-(2,5-dichlorophenyl)-2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1Cl)CSc1nnc(n1C)CCn1nc(c(c1C)[N+](=O)[O-])C

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Molecular Weight: 484.37
Empirical Formula: C18H19Cl2N7O3S

Physical State: Dry powder
Available Amount: 465 mg

Lipinsky:
logP: 3.981
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 148
Number of rings: 3

     

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