COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537700
Chemical Name: (12aS)-2-(1,3-benzodioxol-5-ylmethyl)-6-(2-methylphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(Cc2ccc3c(c2)OCO3)CC(=O)N2[C@H]1Cc1c(C2c2ccccc2C)[nH]c2c1cccc2

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Molecular Weight: 479.54
Empirical Formula: C29H25N3O4

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 3.686
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 7

     

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