COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK292397
Chemical Name: 1-{2-[5-(2-hydroxyphenyl)-3-{(E)-2-[4-(methylsulfanyl)phenyl]ethenyl}-1H-1,2,4-triazol-1-yl]ethyl}piperidinium
Smiles: CSc1ccc(cc1)/C=C/c1nc(n(n1)CC[NH+]1CCCCC1)c1ccccc1O

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Saltdata: HCl
Molecular Weight: 421.59
Empirical Formula: C24H29N4OS

Physical State: Dry powder
Available Amount: 6 mg

Lipinsky:
logP: 6.736
Rotatable bonds: 6
H-donors: 2
H-acceptors: 1
PSA: 80
Number of rings: 4

     

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