COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL154019
Chemical Name: 2'-(2-methoxyethyl)-N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-1'-oxo-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)COC

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Molecular Weight: 444.55
Empirical Formula: C22H28N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.319
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 117
Number of rings: 4

     

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