COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL457942
Chemical Name: methyl4-[(12aS)-2-(4-methylbenzyl)-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)Cc1ccc(cc1)C

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Molecular Weight: 493.56
Empirical Formula: C30H27N3O4

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 3.802
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 82
Number of rings: 6

     

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