COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK467182
Chemical Name: 3-({4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}carbonyl)bicyclo[2.2.2]octane-2-carboxylicacid
Smiles: OC(=O)C1C2CCC(C1C(=O)N1CCN(CC1)C(=O)c1sc3c(c1Cl)ccc(c3)[N+](=O)[O-])CC2

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Molecular Weight: 505.98
Empirical Formula: C23H24ClN3O6S

Physical State: Dry powder
Available Amount: 318 mg

Lipinsky:
logP: 3.994
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 151
Number of rings: 6

     

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