COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK692856
Chemical Name: 1-(1,3-benzothiazol-2-yl)-4-{4-[(2-chlorobenzyl)oxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: O=C1CSC(c2c(N1)n(nc2C)c1nc2c(s1)cccc2)c1ccc(cc1)OCc1ccccc1Cl

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Molecular Weight: 533.07
Empirical Formula: C27H21ClN4O2S2

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 7.241
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 122
Number of rings: 6

     

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