COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK692821
Chemical Name: 1-(1,3-benzothiazol-2-yl)-3-methyl-4-[3-(trifluoromethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: O=C1CSC(c2c(N1)n(nc2C)c1nc2c(s1)cccc2)c1cccc(c1)C(F)(F)F

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Molecular Weight: 460.5
Empirical Formula: C21H15F3N4OS2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.646
Rotatable bonds: 1
H-donors: 1
H-acceptors: 1
PSA: 113
Number of rings: 5

     

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