COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL457900
Chemical Name: (12aS)-2-{[(E)-(3,4-dimethoxyphenyl)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)ccc1OC

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Molecular Weight: 418.45
Empirical Formula: C23H22N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.324
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 87
Number of rings: 5

     

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