COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546033
Chemical Name: (12aS)-2-(5-hydroxypentyl)-6-(3,4,5-trimethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: OCCCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cc(OC)c(c(c2)OC)OC)[nH]c2c1cccc2

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Molecular Weight: 507.59
Empirical Formula: C28H33N3O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.126
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 104
Number of rings: 5

     

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