COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529263
Chemical Name: (12aS)-2-cyclopentyl-6-(4-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(C2c2ccc(cc2)[N+](=O)[O-])[nH]c2c1cccc2)C1CCCC1

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Molecular Weight: 444.49
Empirical Formula: C25H24N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.793
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 102
Number of rings: 6

     

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