COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK524093
Chemical Name: N-(cyanomethyl)-2-(1,3-dioxo-4,7-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N,N-dimethylethanaminium
Smiles: N#CC[N+](CCN1C(=O)C2C(C1=O)C(C=CC2c1ccccc1)c1ccccc1)(C)C

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Molecular Weight: 414.53
Empirical Formula: C26H28N3O2

Physical State: Dry powder
Available Amount: 497 mg

Lipinsky:
logP: 0.207
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 61
Number of rings: 4

     

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