COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK309717
Chemical Name: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
Smiles: O=C(N1N=C(CC1(O)C(F)(F)F)C)CSc1nnc(n1C)c1ccc(cc1)Br

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Molecular Weight: 478.29
Empirical Formula: C16H15BrF3N5O2S

Physical State: Dry powder
Available Amount: 36 mg

Lipinsky:
logP: 3.334
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 108
Number of rings: 3

     

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