COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528149
Chemical Name: (12aR)-2-hexyl-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: CCCCCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2cc(OC)c(c(c2)OC)OC)[nH]c2c1cccc2

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Molecular Weight: 505.61
Empirical Formula: C29H35N3O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.663
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 84
Number of rings: 5

     

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