COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK930097
Chemical Name: 3-(1,3-benzodioxol-5-yl)-N-[(2Z)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Smiles: COCc1n[nH]/c(=N/C(=O)C2c3ccccc3C(=O)N(C2c2ccc3c(c2)OCO3)C)/s1

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Molecular Weight: 452.49
Empirical Formula: C22H20N4O5S

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 0.994
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 127
Number of rings: 5

     

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