COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL141974
Chemical Name: 8-chloro-2-methyl-3-(4-{[4-(4-nitrophenyl)piperazin-1-yl]carbonyl}phenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Smiles: Clc1ccc2c(c1)C1NC(=O)N(C(O2)(C1)C)c1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 548
Empirical Formula: C28H26ClN5O5

Physical State: Dry powder
Available Amount: 16 mg

Lipinsky:
logP: 3.649
Rotatable bonds: 0
H-donors: 1
H-acceptors: 5
PSA: 110
Number of rings: 6

     

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