COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048364
Chemical Name: 4-[4-(5-chloro-2-methoxybenzyl)piperazin-1-yl]-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Smiles: COc1ccc(cc1CN1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)CC(C)C)Cl

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Molecular Weight: 480.03
Empirical Formula: C22H30ClN5O3S

Physical State: Dry powder
Available Amount: 268 mg

Lipinsky:
logP: 2.603
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 111
Number of rings: 3

     

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