COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK467344
Chemical Name: (2E)-4-{4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}-4-oxobut-2-enoicacid
Smiles: OC(=O)/C=C/C(=O)N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-]

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Molecular Weight: 423.83
Empirical Formula: C17H14ClN3O6S

Physical State: Dry powder
Available Amount: 196 mg

Lipinsky:
logP: 2.243
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 151
Number of rings: 3

     

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