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Name | CHEMBL1269141 |
---|---|
Molecular formula | C32H49N7O6S |
IUPAC name | N-[(2S)-1-[[(2S,3S)-1-[3-[4-(aminomethyl)piperidine-1-carbonyl]-5-oxo-3,6,8,8a-tetrahydro-2H-[1,3]thiazolo[3,2-a]pyrazin-7-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide |
Molecular weight | 659.847 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 3.0 |
Synonyms | BDBM50329496 5-Isoxazoyl-Cha-Ile-(3R,6S)-6-amino-3-(4-[aminomethyl]piperidine-1-carbonyl)tetrahydro-2H-thiazolo(3,2-a)pyridin-5(3H)-one |
Inchi Key | DHVZCPVEXQADNW-DDMDPKJZSA-N |
Inchi ID | InChI=1S/C32H49N7O6S/c1-3-20(2)28(36-29(41)23(15-21-7-5-4-6-8-21)35-30(42)25-9-12-34-45-25)32(44)38-17-26(40)39-24(19-46-27(39)18-38)31(43)37-13-10-22(16-33)11-14-37/h9,12,20-24,27-28H,3-8,10-11,13-19,33H2,1-2H3,(H,35,42)(H,36,41)/t20-,23-,24?,27?,28-/m0/s1 |
PubChem CID | 52948093 |
ChEMBL | CHEMBL1269141 |
IUPHAR | N/A |
BindingDB | 50329496 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
60417 | Proteinase-activated receptor 2 | P55085 | F2RL1 | Homo sapiens (Human) | 397 |
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