COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057159
Chemical Name: (1'S,2'S,3R,3a'R)-5',7'-dimethyl-2'-[(3-nitrophenyl)carbonyl]-1'-(thiophen-2-ylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: Cc1ccc2c(c1)C(=C[C@H]1N2[C@H](C(=O)c2cccs2)[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1cccc(c1)[N+](=O)[O-])C

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Molecular Weight: 575.64
Empirical Formula: C33H25N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.836
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 140
Number of rings: 7

     

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