COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529233
Chemical Name: (12aS)-2-(1-benzylpiperidin-4-yl)-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(CC(=O)N2[C@H]1Cc1c(C2c2cccc(c2)[N+](=O)[O-])[nH]c2c1cccc2)C1CCN(CC1)Cc1ccccc1

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Molecular Weight: 549.63
Empirical Formula: C32H31N5O4

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 3.323
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 105
Number of rings: 7

     

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