COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK072371
Chemical Name: (3-chloro-1-benzothiophen-2-yl){4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Smiles: [O-][N+](=O)c1cc(ccc1N1CCN(CC1)C(=O)c1sc2c(c1Cl)cccc2)C(F)(F)F

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Molecular Weight: 469.87
Empirical Formula: C20H15ClF3N3O3S

Physical State: Dry powder
Available Amount: 1087 mg

Lipinsky:
logP: 7.11
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 97
Number of rings: 4

     

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