COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051323
Chemical Name: 4-{4-[(4-chlorophenoxy)methyl]piperazin-1-yl}-N-[(2Z)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Smiles: Clc1ccc(cc1)OCN1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)C1CCCCC1

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Molecular Weight: 492.04
Empirical Formula: C23H30ClN5O3S

Physical State: Dry powder
Available Amount: 203 mg

Lipinsky:
logP: 3.631
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 111
Number of rings: 4

     

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