COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL153998
Chemical Name: 2'-(2-methoxyethyl)-1'-oxo-N-[(2E)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCCC2)C(=O)/N=c/1\[nH]nc(s1)C(C)C

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Molecular Weight: 442.58
Empirical Formula: C23H30N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.356
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 108
Number of rings: 4

     

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