COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528473
Chemical Name: 1-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium-3-carboxylate
Smiles: COc1ccc(cc1COc1ccc(c(c1)C)[N+](=O)[O-])C1[NH2+]C(Cc2c1[nH]c1c2cccc1)C(=O)[O-]

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Molecular Weight: 487.51
Empirical Formula: C27H25N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.002
Rotatable bonds: 5
H-donors: 3
H-acceptors: 6
PSA: 136
Number of rings: 5

     

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