COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536852
Chemical Name: (12aS)-2-[2-(cyclohex-1-en-1-yl)ethyl]-6-(4-methylphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: Cc1ccc(cc1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCC1=CCCCC1

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Molecular Weight: 453.58
Empirical Formula: C29H31N3O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.988
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 56
Number of rings: 6

     

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