COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL309917
Chemical Name: ethyl4-(4-chlorophenyl)-7-hydroxy-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-1-carboxylate
Smiles: CCOC(=O)n1nc(c2c1N=C(O)CSC2c1ccc(cc1)Cl)C

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Molecular Weight: 365.84
Empirical Formula: C16H16ClN3O3S

Physical State: Dry powder
Available Amount: 216 mg

Lipinsky:
logP: 3.039
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 102
Number of rings: 3

     

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