COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL193653
Chemical Name: methyl4-[(3aS,4R,9bR)-6-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)[C@@H]1Nc2c([C@H]3[C@@H]1CC=C3)cccc2[N+](=O)[O-]

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Molecular Weight: 350.37
Empirical Formula: C20H18N2O4

Physical State: Dry powder
Available Amount: 6 mg

Lipinsky:
logP: 4.286
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 84
Number of rings: 4

     

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