COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042488
Chemical Name: 4-(4-benzylpiperidin-1-yl)-4-oxo-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCC(CC2)Cc2ccccc2)/s1

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Molecular Weight: 400.55
Empirical Formula: C21H28N4O2S

Physical State: Dry powder
Available Amount: 169 mg

Lipinsky:
logP: 3.22
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 99
Number of rings: 3

     

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