COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL531056
Chemical Name: (1'S,3R,3'S,7a'S)-5''-chloro-1'-[(3,4,5-trimethoxyphenyl)carbonyl]-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: COc1cc(cc(c1OC)OC)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(Cl)cc1

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Molecular Weight: 574.03
Empirical Formula: C31H28ClN3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.636
Rotatable bonds: 2
H-donors: 2
H-acceptors: 6
PSA: 106
Number of rings: 7

     

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