COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK546500
Chemical Name: 1H-benzotriazol-1-yl[(1R,2S,3S,3aS)-2-(4-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl]methanone
Smiles: COc1ccc(cc1)[C@@H]1[C@H]([N+](=O)[O-])[C@H]2N([C@H]1C(=O)n1nnc3c1cccc3)c1ccccc1C=C2

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Molecular Weight: 467.48
Empirical Formula: C26H21N5O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.251
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 106
Number of rings: 6

     

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