COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561349
Chemical Name: 3-{[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]carbonyl}-1H-isothiochromen-1-one
Smiles: COc1cc(OC)ccc1C1CCCN1C(=O)c1cc2ccccc2c(=O)s1

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Molecular Weight: 395.48
Empirical Formula: C22H21NO4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.341
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 81
Number of rings: 4

     

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