COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK581577
Chemical Name: ethyl4-{[({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

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Molecular Weight: 481.51
Empirical Formula: C22H20FN7O3S

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: 4.335
Rotatable bonds: 6
H-donors: 4
H-acceptors: 3
PSA: 166
Number of rings: 4

     

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