COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK436206
Chemical Name: 1-{4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}-3-phenylprop-2-yn-1-one
Smiles: O=C(N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-])C#Cc1ccccc1

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Molecular Weight: 453.91
Empirical Formula: C22H16ClN3O4S

Physical State: Dry powder
Available Amount: 509 mg

Lipinsky:
logP: 5.211
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 114
Number of rings: 4

     

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