COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537153
Chemical Name: (12aS)-6-(2,5-dimethoxyphenyl)-2-(4-phenylbutan-2-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccc(c(c1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)C(CCc1ccccc1)C)OC

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Molecular Weight: 523.63
Empirical Formula: C32H33N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.419
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 6

     

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