COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL457890
Chemical Name: (12aS)-2-{[(E)-(4-nitrophenyl)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(cc2)[N+](=O)[O-])CC(=O)N2[C@H]1Cc1c(C2)[nH]c2c1cccc2

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Molecular Weight: 403.4
Empirical Formula: C21H17N5O4

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 1.127
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 114
Number of rings: 5

     

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