COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL457891
Chemical Name: methyl4-[(12aS)-2-hexyl-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl]benzoate
Smiles: CCCCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccc(cc2)C(=O)OC)[nH]c2c1cccc2

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Molecular Weight: 473.57
Empirical Formula: C28H31N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.202
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 82
Number of rings: 5

     

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