COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK918346
Chemical Name: N-[(1E)-3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxocyclohexa-2,5-dien-1-ylidene]-2,4,5-trimethylbenzenesulfonamide
Smiles: O=C1C=C/C(=N\S(=O)(=O)c2cc(C)c(cc2C)C)/C=C1Sc1nc2c(s1)cccc2

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Molecular Weight: 454.59
Empirical Formula: C22H18N2O3S3

Available Amount: 0 mg

Lipinsky:
logP: 6.825
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 138
Number of rings: 4

     

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