COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK466721
Chemical Name: 2-({4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}carbonyl)cyclohexanecarboxylicacid
Smiles: OC(=O)C1CCCCC1C(=O)N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-]

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Molecular Weight: 479.94
Empirical Formula: C21H22ClN3O6S

Physical State: Dry powder
Available Amount: 352 mg

Lipinsky:
logP: 3.576
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 151
Number of rings: 4

     

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