COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK566563
Chemical Name: 4-(4-chlorophenyl)-7-hydroxy-1-(pentan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc(cc1)Cl)C

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Molecular Weight: 365.88
Empirical Formula: C17H20ClN3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.402
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 90
Number of rings: 3

     

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