COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL458025
Chemical Name: methyl(3S)-2-(chloroacetyl)-1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
Smiles: ClCC(=O)N1[C@@H](Cc2c(C1c1ccc(cc1)[N+](=O)[O-])[nH]c1c2cccc1)C(=O)OC

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Molecular Weight: 427.84
Empirical Formula: C21H18ClN3O5

Available Amount: 0 mg

Lipinsky:
logP: 2.824
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 108
Number of rings: 4

     

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