COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050356
Chemical Name: (1'S,2'S,3R,3a'R)-5'-methyl-1'-[(4-nitrophenyl)carbonyl]-2'-[(4-pentylphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: CCCCCc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)[N+](=O)[O-])N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=C(c1c2cccc1)C

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Molecular Weight: 625.72
Empirical Formula: C39H35N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.303
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 112
Number of rings: 7

     

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