COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK139860
Chemical Name: 2-({5-[(2-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
Smiles: O=C(N1CCN(CC1)c1ccccc1)CSc1nnc(n1C)COc1ccccc1Cl

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Molecular Weight: 457.98
Empirical Formula: C22H24ClN5O2S

Physical State: Dry powder
Available Amount: 114 mg

Lipinsky:
logP: 3.689
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 88
Number of rings: 4

     

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