COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL248445
Chemical Name: 4-(4-chlorophenyl)-N-[3-methyl-1-oxo-1-(4H-1,2,4-triazol-3-ylamino)butan-2-yl]piperazine-1-carboxamide
Smiles: CC(C(C(=O)Nc1[nH]cnn1)NC(=O)N1CCN(CC1)c1ccc(cc1)Cl)C

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Molecular Weight: 405.89
Empirical Formula: C18H24ClN7O2

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 1.585
Rotatable bonds: 3
H-donors: 3
H-acceptors: 2
PSA: 106
Number of rings: 3

     

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