COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK692812
Chemical Name: 4-(4-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: COc1ccc2c(c1)sc(n2)n1nc(c2c1NC(=O)CSC2c1ccc(cc1)O)C

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Molecular Weight: 438.53
Empirical Formula: C21H18N4O3S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.254
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 142
Number of rings: 5

     

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