COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537832
Chemical Name: (12aS)-2-[2-(cyclohex-1-en-1-yl)ethyl]-6-(3,4,5-trimethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1cc(cc(c1OC)OC)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCC1=CCCCC1

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Molecular Weight: 529.64
Empirical Formula: C31H35N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.967
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 84
Number of rings: 6

     

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