COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK007157
Chemical Name: 2-[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl(2E)-3-(3-chlorophenyl)prop-2-enoate
Smiles: O=C(/C=C/c1cccc(c1)Cl)OCCN1CCN(CC1)C1=NS(=O)(=O)c2c1cccc2

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Saltdata: HCI
Molecular Weight: 459.95
Empirical Formula: C22H22ClN3O4S

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 2.906
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 79
Number of rings: 4

     

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