COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537856
Chemical Name: methyl4-[(12aS)-1,4-dioxo-2-(tetrahydrofuran-2-ylmethyl)-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CC1CCCO1

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Molecular Weight: 473.53
Empirical Formula: C27H27N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.721
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 91
Number of rings: 6

     

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