COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL300899
Chemical Name: 3-(5,5-dimethyl-1,3-dioxo-1,3,3a,4,5,6,7,8,9,9a-decahydro-2H-benzo[f]isoindol-2-yl)-N,N,N-trimethylpropan-1-aminium
Smiles: O=C1N(CCC[N+](C)(C)C)C(=O)C2C1CC1=C(C2)CCCC1(C)C

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Saltdata: I-
Molecular Weight: 333.49
Empirical Formula: C20H33N2O2

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: -0.474
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 37
Number of rings: 3

     

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