COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK070730
Chemical Name: 3,3-dimethyl-8-(morpholin-4-yl)-6-[(2-oxoheptyl)sulfanyl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: CCCCCC(=O)CSc1nc(N2CCOCC2)c2c(c1C#N)CC(OC2)(C)C

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Molecular Weight: 417.57
Empirical Formula: C22H31N3O3S

Physical State: Dry powder
Available Amount: 319 mg

Lipinsky:
logP: 4.171
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 100
Number of rings: 3

     

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