COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536722
Chemical Name: (12aS)-2-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(/N=C/c2ccc(cc2)N(C)C)CC(=O)N2[C@H]1Cc1c(C2)[nH]c2c1cccc2

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Molecular Weight: 401.47
Empirical Formula: C23H23N5O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.378
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 72
Number of rings: 5

     

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