COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL411426
Chemical Name: 3-{4-[7-hydroxy-3-oxo-1-(tetrahydro-2H-thiopyran-4-yl)-2,3,4,6-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-3,5-dimethyl-1H-pyrazol-1-yl}propanoicacid
Smiles: OC(=O)CCn1nc(c(c1C)C1SCC(=Nc2c1c(=O)[nH]n2C1CCSCC1)O)C

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Molecular Weight: 451.57
Empirical Formula: C19H25N5O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.63
Rotatable bonds: 7
H-donors: 3
H-acceptors: 4
PSA: 170
Number of rings: 4

     

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