COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553166
Chemical Name: 6-(benzyloxy)-1-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium
Smiles: COc1ccc(cc1COc1ccc(c(c1)C)[N+](=O)[O-])C1[NH2+]CCc2c1[nH]c1c2cc(cc1)OCc1ccccc1

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Saltdata: CH3COO-
Molecular Weight: 550.63
Empirical Formula: C33H32N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.024
Rotatable bonds: 7
H-donors: 3
H-acceptors: 5
PSA: 105
Number of rings: 6

     

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