COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK936956
Chemical Name: ethyl[(2Z)-2-({[3-(1,3-benzodioxol-5-yl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]carbonyl}imino)-2,3-dihydro-1,3-thiazol-4-yl]acetate
Smiles: CCOC(=O)Cc1cs/c(=N\C(=O)C2c3ccccc3C(=O)N(C2c2ccc3c(c2)OCO3)C)/[nH]1

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Molecular Weight: 493.54
Empirical Formula: C25H23N3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.365
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 131
Number of rings: 5

     

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