COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK637003
Chemical Name: methylN-[3-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-beta-alaninate
Smiles: COC(=O)CCN(C1CCS(=O)(=O)C1)C(=O)CCc1c(=O)oc2c(c1C)ccc(c2OC)OC

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Molecular Weight: 495.55
Empirical Formula: C23H29NO9S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 0.688
Rotatable bonds: 10
H-donors: 0
H-acceptors: 9
PSA: 133
Number of rings: 3

     

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