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Name | CHEMBL170197 |
---|---|
Molecular formula | C30H40N4O5 |
IUPAC name | tert-butyl N-[2-[[(2S)-1-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-2-oxo-1-phenylethyl]carbamate |
Molecular weight | 536.673 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 4.4 |
Synonyms | BDBM50284149 {[(S)-1-((S)-3-Benzyl-5-oxo-piperazine-1-carbonyl)-3-methyl-butylcarbamoyl]-phenyl-methyl}-carbamic acid tert-butyl ester |
Inchi Key | FWUSSOHFKULSSA-OKHNBNEASA-N |
Inchi ID | InChI=1S/C30H40N4O5/c1-20(2)16-24(28(37)34-18-23(31-25(35)19-34)17-21-12-8-6-9-13-21)32-27(36)26(22-14-10-7-11-15-22)33-29(38)39-30(3,4)5/h6-15,20,23-24,26H,16-19H2,1-5H3,(H,31,35)(H,32,36)(H,33,38)/t23-,24-,26?/m0/s1 |
PubChem CID | 44382805 |
ChEMBL | CHEMBL170197 |
IUPHAR | N/A |
BindingDB | 50284149 |
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 |
---|---|---|---|---|---|
89234 | Cholecystokinin receptor type A | O08786 | Cckar | Mus musculus (Mouse) | 436 |
89233 | Gastrin/cholecystokinin type B receptor | P56481 | Cckbr | Mus musculus (Mouse) | 453 |
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