COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK158595
Chemical Name: methyl3-{[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl}-5-nitrobenzoate
Smiles: COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N1CCN(CC1)c1cccc(c1C)C

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Molecular Weight: 397.43
Empirical Formula: C21H23N3O5

Physical State: Dry powder
Available Amount: 396 mg

Lipinsky:
logP: 2.613
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 95
Number of rings: 3

     

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