COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055091
Chemical Name: (1'S,2'S,3R,3a'R)-1'-[(3-methoxyphenyl)carbonyl]-5',7'-dimethyl-2'-[(3-nitrophenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1cccc(c1)C(=O)[C@H]1N2c3ccc(cc3C(=C[C@@H]2[C@]2([C@@H]1C(=O)c1cccc(c1)[N+](=O)[O-])C(=O)Nc1c2cccc1)C)C

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Molecular Weight: 599.64
Empirical Formula: C36H29N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.423
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 121
Number of rings: 7

     

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