COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050297
Chemical Name: 1-benzyl-4-[4-(benzyloxy)phenyl]-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: OC1=Nc2n(ncc2C(SC1)c1ccc(cc1)OCc1ccccc1)Cc1ccccc1

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Molecular Weight: 441.55
Empirical Formula: C26H23N3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.367
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 84
Number of rings: 5

     

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