COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537080
Chemical Name: (12aS)-6-(2,5-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccc(cc1)CCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cc(OC)ccc2OC)[nH]c2c1cccc2

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Molecular Weight: 525.6
Empirical Formula: C31H31N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.61
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 84
Number of rings: 6

     

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