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Name | CHEMBL395972 |
---|---|
Molecular formula | C37H45F3N4O4S |
IUPAC name | N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-6-(trifluoromethyl)-1-benzothiophene-2-carboxamide |
Molecular weight | 698.846 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 6.6 |
Synonyms | N/A |
Inchi Key | APGKRIOUNGEFML-SSEXGKCCSA-N |
Inchi ID | InChI=1S/C37H45F3N4O4S/c38-37(39,40)29-9-8-28-21-32(49-31(28)22-29)34(46)43-36(14-4-5-15-36)35(47)42-30(20-25-6-2-1-3-7-25)33(45)41-23-26-10-16-44(17-11-26)24-27-12-18-48-19-13-27/h1-3,6-9,21-22,26-27,30H,4-5,10-20,23-24H2,(H,41,45)(H,42,47)(H,43,46)/t30-/m1/s1 |
PubChem CID | 23627059 |
ChEMBL | CHEMBL395972 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
10951 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
10952 | Substance-K receptor | Q64077 | TACR2 | Cavia porcellus (Guinea pig) | 402 |
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