COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK446833
Chemical Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carbothioamide
Smiles: S=C(N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-])Nc1ccc2c(c1)OCCO2

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Molecular Weight: 519
Empirical Formula: C22H19ClN4O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.01
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 160
Number of rings: 5

     

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