COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553187
Chemical Name: 1-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium
Smiles: COc1ccc(cc1Cn1ncc(c1)[N+](=O)[O-])C1[NH2+]CCc2c1[nH]c1c2cccc1

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Saltdata: CH3COO-
Molecular Weight: 404.45
Empirical Formula: C22H22N5O3

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 2.36
Rotatable bonds: 4
H-donors: 3
H-acceptors: 3
PSA: 105
Number of rings: 5

     

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