COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052813
Chemical Name: (1'S,2'S,3R,3a'R)-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: O=C([C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1cccc(c1)[N+](=O)[O-])C(=O)Nc1c2cccc1)c1cccs1

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Molecular Weight: 547.59
Empirical Formula: C31H21N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.786
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 140
Number of rings: 7

     

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