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Name | CHEMBL3736432 |
---|---|
Molecular formula | C24H35N7O5 |
IUPAC name | (2S)-5-(diaminomethylideneamino)-2-[[5-methyl-2-[(1S)-3-methyl-1-[(4-methylphenyl)carbamoylamino]butyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid |
Molecular weight | 501.588 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 6 |
XlogP | 1.8 |
Synonyms | SCHEMBL16154190 |
Inchi Key | NHUGXMGRMIMXFG-ROUUACIJSA-N |
Inchi ID | InChI=1S/C24H35N7O5/c1-13(2)12-18(30-24(35)28-16-9-7-14(3)8-10-16)21-31-19(15(4)36-21)20(32)29-17(22(33)34)6-5-11-27-23(25)26/h7-10,13,17-18H,5-6,11-12H2,1-4H3,(H,29,32)(H,33,34)(H4,25,26,27)(H2,28,30,35)/t17-,18-/m0/s1 |
PubChem CID | 117634966 |
ChEMBL | CHEMBL3736432 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
527923 | C3a anaphylatoxin chemotactic receptor | Q16581 | C3AR1 | Homo sapiens (Human) | 482 |
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