COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL222086
Chemical Name: (3aS,4R,9bR)-4-{4-[(4-chlorobenzyl)oxy]phenyl}-6-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Smiles: Clc1ccc(cc1)COc1ccc(cc1)[C@@H]1Nc2c([C@H]3[C@@H]1CC=C3)cccc2[N+](=O)[O-]

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Molecular Weight: 432.91
Empirical Formula: C25H21ClN2O3

Physical State: Dry powder
Available Amount: 41 mg

Lipinsky:
logP: 6.474
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 67
Number of rings: 5

     

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