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Name | CHEMBL351387 |
---|---|
Molecular formula | C25H25N5O3S |
IUPAC name | (2S)-N-benzhydryl-1-[(2-nitroanilino)carbamothioyl]pyrrolidine-2-carboxamide |
Molecular weight | 475.567 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 5.5 |
Synonyms | (2S)-N-Benzhydryl-1-[2-(2-nitrophenyl)hydrazinocarbonothioyl]pyrrolidine-2-carboxamide |
Inchi Key | RDLJFYDPHNQKHM-QFIPXVFZSA-N |
Inchi ID | InChI=1S/C25H25N5O3S/c31-24(26-23(18-10-3-1-4-11-18)19-12-5-2-6-13-19)22-16-9-17-29(22)25(34)28-27-20-14-7-8-15-21(20)30(32)33/h1-8,10-15,22-23,27H,9,16-17H2,(H,26,31)(H,28,34)/t22-/m0/s1 |
PubChem CID | 10344874 |
ChEMBL | CHEMBL351387 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
293456 | B2 bradykinin receptor | P25023 | Bdkrb2 | Rattus norvegicus (Rat) | 396 |
293457 | Substance-P receptor | P14600 | Tacr1 | Rattus norvegicus (Rat) | 407 |
293458 | Substance-P receptor | P30547 | TACR1 | Cavia porcellus (Guinea pig) | 407 |
293459 | Substance-P receptor | P25103 | TACR1 | Homo sapiens (Human) | 407 |
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