COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL318449
Chemical Name: 7-hydroxy-1-(propan-2-yl)-4-(2,4,5-trimethoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: COc1cc(OC)c(cc1C1SCC(=Nc2c1c(=O)[nH]n2C(C)C)O)OC

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Molecular Weight: 393.46
Empirical Formula: C18H23N3O5S

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 2.327
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 117
Number of rings: 3

     

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