COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536915
Chemical Name: (12bS)-9-methoxy-12b-methyl-2-(3,4,5-trimethoxybenzyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccc2c(c1)c1CCN3[C@](c1[nH]2)(C)C(=O)N(CC3=O)Cc1cc(OC)c(c(c1)OC)OC

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Molecular Weight: 479.53
Empirical Formula: C26H29N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.653
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 93
Number of rings: 5

     

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