COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL403120
Chemical Name: N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-5-[1-(3-methyl-4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
Smiles: CC(n1cc(c(n1)C)[N+](=O)[O-])c1nnc(s1)Nc1ccn(n1)Cc1c(F)cccc1Cl

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Molecular Weight: 462.89
Empirical Formula: C18H16ClFN8O2S

Physical State: Dry powder
Available Amount: 54 mg

Lipinsky:
logP: 2.789
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 147
Number of rings: 4

     

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