COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL484050
Chemical Name: 3-[({1-[(3,3-diphenylpropyl)(methyl)amino]-2-methylpropan-2-yl}oxy)carbonyl]-5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridinium
Smiles: COC(=O)C1=C(C)[NH2+]C(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC(CN(CCC(c1ccccc1)c1ccccc1)C)(C)C)C

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Saltdata: CI-
Molecular Weight: 612.75
Empirical Formula: C36H42N3O6

Available Amount: 0 mg

Lipinsky:
logP: 8.04
Rotatable bonds: 11
H-donors: 2
H-acceptors: 6
PSA: 118
Number of rings: 4

     

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