COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL247319
Chemical Name: N-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-1'-oxo-2'-(tetrahydrofuran-2-ylmethyl)-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Smiles: CCc1n[nH]/c(=N\C(=O)C2c3ccccc3C(=O)N(C32CCCC3)CC2CCCO2)/s1

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Molecular Weight: 440.57
Empirical Formula: C23H28N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.441
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 108
Number of rings: 5

     

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