COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK553809
Chemical Name: methyl(1S,2S,3S)-3-cyano-2-(3,4-dimethoxyphenyl)-1-[(3-nitrophenyl)carbonyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@H](c2ccc(c(c2)OC)OC)[C@H](N2C1C=Cc1c2cccc1)C(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 539.54
Empirical Formula: C30H25N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.597
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 134
Number of rings: 5

     

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