COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK426256
Chemical Name: 3,4-dimethyl-6-[(3-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylicacid
Smiles: O=C(C1CC(=C(CC1C(=O)O)C)C)Nc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 318.33
Empirical Formula: C16H18N2O5

Physical State: Dry powder
Available Amount: 973 mg

Lipinsky:
logP: 3.433
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 112
Number of rings: 2

     

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