COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL365903
Chemical Name: 4-[1-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
Smiles: O=C(N1CCN(CC1)c1ccccc1)CSc1nnc(n1C)C(N1C(=O)COc2c1cccc2)C

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Molecular Weight: 492.6
Empirical Formula: C25H28N6O3S

Physical State: Dry powder
Available Amount: 217 mg

Lipinsky:
logP: 3.164
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 109
Number of rings: 5

     

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