COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL222113
Chemical Name: (3aS,4R,9bR)-4-(5-bromo-2-methoxyphenyl)-6-methoxy-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Smiles: COc1cc(cc2c1N[C@H]([C@@H]1[C@H]2C=CC1)c1cc(Br)ccc1OC)[N+](=O)[O-]

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Molecular Weight: 431.29
Empirical Formula: C20H19BrN2O4

Physical State: Dry powder
Available Amount: 38 mg

Lipinsky:
logP: 5.635
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 76
Number of rings: 4

     

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