COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527936
Chemical Name: (12aR)-2-[(1-benzylpiperidin-4-yl)methyl]-6-(2-phenylethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(CC2CCN(CC2)Cc2ccccc2)CC(=O)N2[C@@H]1Cc1c(C2CCc2ccccc2)[nH]c2c1cccc2

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Molecular Weight: 546.71
Empirical Formula: C35H38N4O2

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 4.821
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 59
Number of rings: 7

     

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