COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL311830
Chemical Name: ethyl[7-hydroxy-4-(4-hydroxyphenyl)-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-1-yl]acetate
Smiles: CCOC(=O)Cn1nc(c2c1N=C(O)CSC2c1ccc(cc1)O)C

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Molecular Weight: 361.42
Empirical Formula: C17H19N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.538
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 122
Number of rings: 3

     

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