COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK692834
Chemical Name: 1-(1,3-benzothiazol-2-yl)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: COc1ccc(cc1O)C1SCC(=O)Nc2c1c(C)nn2c1nc2c(s1)cccc2

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Molecular Weight: 438.53
Empirical Formula: C21H18N4O3S2

Physical State: Dry powder
Available Amount: 75 mg

Lipinsky:
logP: 4.043
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 142
Number of rings: 5

     

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