COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053995
Chemical Name: 4-{4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl}-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)CCOc2ccc(cc2)C)/s1)C

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Molecular Weight: 459.61
Empirical Formula: C23H33N5O3S

Physical State: Dry powder
Available Amount: 200 mg

Lipinsky:
logP: 2.74
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 111
Number of rings: 3

     

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