COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552829
Chemical Name: (4aS,9bR)-5-(4-methoxy-4-oxobutanoyl)-2,2,8-trimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indol-2-ium
Smiles: COC(=O)CCC(=O)N1c2ccc(cc2[C@H]2[C@@H]1CC[N+](C2)(C)C)C

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Saltdata: I-
Molecular Weight: 331.44
Empirical Formula: C19H27N2O3

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: -0.658
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 46
Number of rings: 3

     

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