COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL313564
Chemical Name: 4-[1-(2-ethoxy-2-oxoethyl)-7-hydroxy-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoicacid
Smiles: CCOC(=O)Cn1nc(c2c1N=C(O)CSC2c1ccc(cc1)C(=O)O)C

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Molecular Weight: 389.43
Empirical Formula: C18H19N3O5S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 1.951
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 139
Number of rings: 3

     

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