COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529323
Chemical Name: (12aR)-2-[2-(1H-indol-3-yl)ethyl]-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(CCc2c[nH]c3c2cccc3)CC(=O)N2[C@@H]1Cc1c(C2c2cccc(c2)[N+](=O)[O-])[nH]c2c1cccc2

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Molecular Weight: 519.56
Empirical Formula: C30H25N5O4

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 3.468
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 118
Number of rings: 7

     

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