COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527816
Chemical Name: (12aR)-6-(3-nitrophenyl)-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(Cc2ccncc2)C(=O)[C@@H]2N1C(c1cccc(c1)[N+](=O)[O-])c1c(C2)c2c([nH]1)cccc2

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Molecular Weight: 467.48
Empirical Formula: C26H21N5O4

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 1.602
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 115
Number of rings: 6

     

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