COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561348
Chemical Name: 3-{[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]carbonyl}-1H-isothiochromen-1-one
Smiles: Clc1ccc(cc1)C1(O)CCN(CC1)C(=O)c1cc2ccccc2c(=O)s1

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Molecular Weight: 399.9
Empirical Formula: C21H18ClNO3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.504
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 82
Number of rings: 4

     

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