COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK692809
Chemical Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: COc1ccc2c(c1)sc(n2)n1nc(c2c1NC(=O)CSC2c1ccccc1)C

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Molecular Weight: 422.53
Empirical Formula: C21H18N4O2S2

Physical State: Dry powder
Available Amount: 67 mg

Lipinsky:
logP: 4.99
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 122
Number of rings: 5

     

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