COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK846696
Chemical Name: 7-hydroxy-1-(pentan-2-yl)-4-phenyl-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccccc1)C

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Molecular Weight: 331.44
Empirical Formula: C17H21N3O2S

Physical State: Dry powder
Available Amount: 323 mg

Lipinsky:
logP: 3.807
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 90
Number of rings: 3

     

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