COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL457894
Chemical Name: (12aS)-2-(3-hydroxypropyl)-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: OCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cccc(c2)[N+](=O)[O-])[nH]c2c1cccc2

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Molecular Weight: 434.45
Empirical Formula: C23H22N4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.887
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 122
Number of rings: 5

     

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