COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042533
Chemical Name: N-[(2Z)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanamide
Smiles: CCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)c2ccc(cc2)[N+](=O)[O-])/s1

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Molecular Weight: 418.48
Empirical Formula: C18H22N6O4S

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 1.345
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 148
Number of rings: 3

     

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