COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562155
Chemical Name: 4-[4-(benzyloxy)phenyl]-7-hydroxy-1-(pentan-3-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc(cc1)OCc1ccccc1)CC

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Molecular Weight: 437.56
Empirical Formula: C24H27N3O3S

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 5.378
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 99
Number of rings: 4

     

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