COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK697905
Chemical Name: 3-(diphenylmethylidene)-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(=C(/c1ccccc1)\c1ccccc1)/C2

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Saltdata: Br-
Molecular Weight: 439.53
Empirical Formula: C28H27N2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.324
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 62
Number of rings: 6

     

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