COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537614
Chemical Name: (12aS)-2-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1cccc(c1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 495.53
Empirical Formula: C29H25N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.141
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 84
Number of rings: 7

     

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