COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529186
Chemical Name: (12aR)-2-({(Z)-[5-(3-nitrophenyl)furan-2-yl]methylidene}amino)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(/N=C\c2ccc(o2)c2cccc(c2)[N+](=O)[O-])CC(=O)N2[C@@H]1Cc1c(C2)[nH]c2c1cccc2

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Molecular Weight: 469.46
Empirical Formula: C25H19N5O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.317
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 127
Number of rings: 6

     

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