COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527872
Chemical Name: (12aR)-2-[3-(dibutylamino)propyl]-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCN(CCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2cccc(c2)[N+](=O)[O-])[nH]c2c1cccc2)CCCC

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Molecular Weight: 545.68
Empirical Formula: C31H39N5O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.857
Rotatable bonds: 10
H-donors: 1
H-acceptors: 4
PSA: 105
Number of rings: 5

     

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