COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK130057
Chemical Name: 2-(2-{[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-1H-isoindole-1,3(2H)-dione
Smiles: CN1CCN(CC1)C(=O)CSc1nc2c(s1)cc(cc2)N1C(=O)c2c(C1=O)cccc2

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Molecular Weight: 452.56
Empirical Formula: C22H20N4O3S2

Physical State: Dry powder
Available Amount: 68 mg

Lipinsky:
logP: 2.823
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 127
Number of rings: 5

     

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