COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL251291
Chemical Name: 2'-(butan-2-yl)-N-[(2E)-5-cyclopropyl-1,3,4-thiadiazol-2(3H)-ylidene]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Smiles: CCC(N1C(=O)c2ccccc2C(C21CCCCC2)C(=O)/N=c/1\[nH]nc(s1)C1CC1)C

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Molecular Weight: 438.59
Empirical Formula: C24H30N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.244
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 99
Number of rings: 5

     

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