COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537913
Chemical Name: methyl4-[(E)-{[(12aS)-6,6-dimethyl-1,4-dioxo-3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]imino}methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/N1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2

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Molecular Weight: 444.49
Empirical Formula: C25H24N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.648
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 95
Number of rings: 5

     

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