COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK862439
Chemical Name: 3-[hydroxy(diphenyl)methyl]-1-[2-(4-nitrophenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octane
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])C[N+]12CCC(CC1)C(C2)C(c1ccccc1)(c1ccccc1)O

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Saltdata: Br-
Molecular Weight: 457.55
Empirical Formula: C28H29N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.636
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 83
Number of rings: 6

     

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