COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK550995
Chemical Name: (1'S,2'S,3R,3a'R)-1'-(2,2-dimethylpropanoyl)-2'-[(3-nitrophenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: O=C([C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 521.57
Empirical Formula: C31H27N3O5

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 5.754
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 112
Number of rings: 6

     

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