COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK642079
Chemical Name: (2S)-4-methyl-N-[(2E)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanamide
Smiles: CC(C[C@H](N1Cc2c(C1=O)cccc2)C(=O)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)C)C

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Molecular Weight: 457.57
Empirical Formula: C22H23N3O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.22
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 129
Number of rings: 4

     

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