COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK097229
Chemical Name: 4-[(E)-{2-[3-(cyclohexylamino)-3-oxopropyl]-2-(1,1-dioxido-1,2-benzothiazol-3-yl)hydrazinylidene}methyl]phenylacetate
Smiles: O=C(NC1CCCCC1)CCN(C1=NS(=O)(=O)c2c1cccc2)/N=C/c1ccc(cc1)OC(=O)C

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Molecular Weight: 496.59
Empirical Formula: C25H28N4O5S

Physical State: Dry powder
Available Amount: 184 mg

Lipinsky:
logP: 3.115
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 118
Number of rings: 4

     

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