COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148887
Chemical Name: 1-cycloheptyl-7-hydroxy-4-(3,4,5-trimethoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: COc1cc(cc(c1OC)OC)C1SCC(=Nc2c1c(=O)[nH]n2C1CCCCCC1)O

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Molecular Weight: 447.56
Empirical Formula: C22H29N3O5S

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.929
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 117
Number of rings: 4

     

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