1.0 2016-05-22 05:45:13 UTC 2026-08-22 12:03:53 UTC Lopinavir SmallMolecule Lopinavir is an organic compound with the chemical formula C37H48N4O5. Lopinavir belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 628.80 g/mol, Lopinavir is a heavy molecule. In terms of biological activity, it is recorded as an inhibitor of Pol polyprotein. The compound is found in or released from six recorded sources. These include healthcare, pharmaceuticals and veterinary products, specifically antivirals, as well as household cleaning and consumer products such as non electric simulated smoking devices. Additionally, it is associated with electrical and electronic equipment, including magnets, relays, television systems, and video games. The recorded route of exposure for this substance is oral. C37H48N4O5 628.8008 628.362470666 (2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)acetamido]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide lopinavir 192725-17-0 CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)CC1=CC=CC=C1 InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1 KJHKTHWMRKYKJE-SUGCFTRWSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Valine and derivatives Alkyl aryl ethers Amphetamines and derivatives Azacyclic compounds Carbonyl compounds Diazinanes Hydrocarbon derivatives N-acyl amines Organic oxides Organonitrogen compounds Organopnictogen compounds Phenol ethers Phenoxy compounds Pyrimidones Secondary alcohols Secondary carboxylic acid amides Ureas m-Xylenes 1,3-diazinane Alcohol Alkyl aryl ether Amphetamine or derivatives Aromatic heteromonocyclic compound Azacycle Benzenoid Carbonic acid derivative Carbonyl group Carboxamide group Ether Fatty acyl Fatty amide Hydrocarbon derivative M-xylene Monocyclic benzene moiety N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Pyrimidine Pyrimidone Secondary alcohol Secondary carboxylic acid amide Urea Valine or derivatives Xylene Aromatic heteromonocyclic compounds amphetamines dicarboxylic acid diamide Detected and Not Quantified Lopinavir Action Pathway SMP0125939 Lopinavir Drug Metabolism Action Pathway SMP0143800 logp 4.69 logp 3.91 ALOGPS logs -5.51 ALOGPS solubility 1.92e-03 g/l ALOGPS logp 4.69 ChemAxon pka_strongest_acidic 13.39 ChemAxon pka_strongest_basic -1.5 ChemAxon iupac (2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)acetamido]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide ChemAxon average_mass 628.8008 ChemAxon mono_mass 628.362470666 ChemAxon smiles CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)CC1=CC=CC=C1 ChemAxon formula C37H48N4O5 ChemAxon inchi InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1 ChemAxon inchikey KJHKTHWMRKYKJE-SUGCFTRWSA-N ChemAxon polar_surface_area 120 ChemAxon refractivity 179.36 ChemAxon polarizability 69.2 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72246b2c70> DB01601 92727 83706 BE0004854