COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546024
Chemical Name: (12aS)-2-[3-(dimethylamino)propyl]-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)CCCN(C)C

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Molecular Weight: 446.55
Empirical Formula: C26H30N4O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.854
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 68
Number of rings: 5

     

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