COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL098948
Chemical Name: 1-{4-[4-({5-[(3-chlorophenyl)amino]-1H-1,2,3-triazol-4-yl}carbonyl)piperazin-1-yl]phenyl}ethanone
Smiles: Clc1cccc(c1)Nc1[nH]nnc1C(=O)N1CCN(CC1)c1ccc(cc1)C(=O)C

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Molecular Weight: 424.89
Empirical Formula: C21H21ClN6O2

Physical State: Dry powder
Available Amount: 44 mg

Lipinsky:
logP: 2.186
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 94
Number of rings: 4

     

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