COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529466
Chemical Name: (12aS)-6-(4-nitrophenyl)-2-(thiophen-2-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(Cc2cccs2)C(=O)[C@H]2N1C(c1ccc(cc1)[N+](=O)[O-])c1c(C2)c2c([nH]1)cccc2

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Molecular Weight: 472.52
Empirical Formula: C25H20N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.772
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 130
Number of rings: 6

     

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