COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528079
Chemical Name: (12aR)-2-{[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]amino}-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1cc(/C=N/N2CC(=O)N3[C@@H](C2=O)Cc2c(C3)[nH]c3c2cccc3)ccc1O

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Molecular Weight: 404.43
Empirical Formula: C22H20N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.836
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 98
Number of rings: 5

     

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