COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537119
Chemical Name: methyl4-[(12aS)-2-(1,3-benzodioxol-5-ylmethyl)-1,4-dioxo-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)Cc1ccc2c(c1)OCO2

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Molecular Weight: 523.55
Empirical Formula: C30H25N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.204
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 101
Number of rings: 7

     

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