COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553204
Chemical Name: 6-(benzyloxy)-1-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium
Smiles: COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)C1[NH2+]CCc2c1[nH]c1c2cc(cc1)OCc1ccccc1

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Saltdata: CH3COO-
Molecular Weight: 538.63
Empirical Formula: C31H32N5O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.851
Rotatable bonds: 6
H-donors: 3
H-acceptors: 4
PSA: 114
Number of rings: 6

     

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