COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL320665
Chemical Name: ethyl[4-(3-chloro-4-fluorophenyl)-7-hydroxy-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-1-yl]acetate
Smiles: CCOC(=O)Cn1nc(c2c1N=C(O)CSC2c1ccc(c(c1)Cl)F)C

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Molecular Weight: 397.86
Empirical Formula: C17H17ClFN3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.031
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 102
Number of rings: 3

     

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