COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK936838
Chemical Name: 3-(1,3-benzodioxol-5-yl)-2-methyl-N-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Smiles: Cc1n[nH]/c(=N/C(=O)C2c3ccccc3C(=O)N(C2c2ccc3c(c2)OCO3)C)/s1

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Molecular Weight: 422.46
Empirical Formula: C21H18N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.152
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 117
Number of rings: 5

     

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