COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK326305
Chemical Name: (4Z)-4-[({2-[3-(heptylsulfanyl)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}amino)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCCCCCSc1nnc(c(n1)O)c1ccccc1N/C=C\1/C(=NN(C1=O)c1ccccc1)C

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Molecular Weight: 502.64
Empirical Formula: C27H30N6O2S

Physical State: Dry powder
Available Amount: 180 mg

Lipinsky:
logP: 3.879
Rotatable bonds: 9
H-donors: 2
H-acceptors: 2
PSA: 128
Number of rings: 4

     

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