| CID | 1199999 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 749 |
| pubchem_cactvs_hbond_acceptor | 6 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 11 |
| pubchem_cactvs_subskeys | AAADcfB/MQAAAAAAAAAAAAAAAAAAASAAAAA8YMEAAAAAAAAB1AAAHwAQAAAADCzBmA4yBoPABECIAqFSEAKCCAAkIAAIiIHODMgOJjKE9T+HOSjk1hGYqYeY3wJuIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | N-(1-benzyl-4-piperidyl)-5-[[(3-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]furan-2-carboxamide |
| pubchem_iupac_cas_name | N-(1-benzyl-4-piperidinyl)-5-[[(3-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-2-furancarboxamide |
| pubchem_iupac_systematic_name | 5-[[(3-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[1-(phenylmethyl)piperidin-4-yl]furan-2-carboxamide |
| pubchem_iupac_traditional_name | N-(1-benzyl-4-piperidyl)-5-[[(3-fluorobenzyl)-p-anisyl-amino]methyl]-2-furamide |
| pubchem_nist_inchi | InChI=1S/C33H36FN3O3/c1-39-30-12-10-26(11-13-30)22-37(23-27-8-5-9-28(34)20-27)24-31-14-15-32(40-31)33(38)35-29-16-18-36(19-17-29)21-25-6-3-2-4-7-25/h2-15,20,29H,16-19,21-24H2,1H3,(H,35,38) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 541.27407 |
| pubchem_molecular_formula | C33H36FN3O3 |
| pubchem_molecular_weight | 541.655643 |
| pubchem_openeye_can_smiles | COC1=CC=C(C=C1)CN(CC2=CC(=CC=C2)F)CC3=CC=C(O3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5 |
| pubchem_openeye_iso_smiles | COC1=CC=C(C=C1)CN(CC2=CC(=CC=C2)F)CC3=CC=C(O3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5 |
| pubchem_cactvs_tpsa | 58 |
| pubchem_monoisotopic_weight | 541.27407 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 40 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 0 |
| pubchem_bond_def_stereo_count | 0 |
| pubchem_bond_udef_stereo_count | 0 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 2 |
| pubchem_bondannotations | 14 17 8
14 18 8
16 21 8
17 22 8
18 23 8
19 24 8
2 16 8
2 19 8
21 24 8
22 27 8
23 27 8
28 30 8
28 31 8
29 32 8
29 33 8
30 34 8
31 35 8
32 37 8
33 38 8
34 36 8
35 36 8
37 39 8
38 39 8 |
