COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK692857
Chemical Name: 1-(1,3-benzothiazol-2-yl)-4-{4-[(2-fluorobenzyl)oxy]-3-methoxyphenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: COc1cc(ccc1OCc1ccccc1F)C1SCC(=O)Nc2c1c(C)nn2c1nc2c(s1)cccc2

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Molecular Weight: 546.65
Empirical Formula: C28H23FN4O3S2

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 6.519
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 131
Number of rings: 6

     

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