COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528926
Chemical Name: (12aS)-6-(3-bromophenyl)-2-(3,4,5-trimethoxybenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1c(OC)cc(cc1OC)CN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cccc(c2)Br)[nH]c2c1cccc2

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Molecular Weight: 590.47
Empirical Formula: C30H28BrN3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.575
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 84
Number of rings: 6

     

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