COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK542475
Chemical Name: (4-chlorophenyl){(1R,2S,3R,3aR)-2-[4-(dimethylamino)phenyl]-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl}methanone
Smiles: Clc1ccc(cc1)C(=O)[C@H]1[C@H](c2ccc(cc2)N(C)C)[C@H]([C@@H]2N1c1ccccc1C=C2)[N+](=O)[O-]

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Molecular Weight: 473.96
Empirical Formula: C27H24ClN3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.82
Rotatable bonds: 0
H-donors: 0
H-acceptors: 3
PSA: 69
Number of rings: 5

     

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