COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472249
Chemical Name: 5-{4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}-5-oxopentanoicacid
Smiles: OC(=O)CCCC(=O)N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-]

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Molecular Weight: 439.88
Empirical Formula: C18H18ClN3O6S

Physical State: Dry powder
Available Amount: 217 mg

Lipinsky:
logP: 2.677
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 151
Number of rings: 3

     

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