COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL317021
Chemical Name: 2-{4-[5-cyano-3,3-dimethyl-6-(methylsulfanyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-8-yl]piperazin-1-yl}-N,N-diethylacetamide
Smiles: CCN(C(=O)CN1CCN(CC1)c1nc(SC)c(c2c1COC(C2)(C)C)C#N)CC

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Saltdata: HCl
Molecular Weight: 431.6
Empirical Formula: C22H33N5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.618
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 98
Number of rings: 3

     

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