COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529326
Chemical Name: (12aS)-2-cyclohexyl-6-(4-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(C2CCCCC2)C(=O)[C@H]2N1C(c1ccc(cc1)[N+](=O)[O-])c1c(C2)c2c([nH]1)cccc2

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Molecular Weight: 458.52
Empirical Formula: C26H26N4O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.357
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 102
Number of rings: 6

     

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