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Name | CHEMBL322439 |
---|---|
Molecular formula | C29H34N6O6 |
IUPAC name | (4-nitrophenyl)methyl N-[1-[4-(4-nitroimidazol-1-yl)-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate |
Molecular weight | 562.627 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 0 |
XlogP | 4.7 |
Synonyms | (4-nitrophenyl)methyl N-allyl-N-[1-[4-(4-nitroimidazol-1-yl)-3-phenyl-butyl]-4-piperidyl]carbamate AC1LA87O BDBM50106942 (4-nitrophenyl)methyl N-[1-[4-(4-nitroimidazol-1-yl)-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate N-Allyl-N-[1-[3-phenyl-4-(4-nitro-1H-imidazole-1-yl)butyl]-4-piperidinyl]carbamic acid 4-nitrobenzyl ester [ Show all ] |
Inchi Key | APUITEDEUGQVAF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H34N6O6/c1-2-15-33(29(36)41-21-23-8-10-27(11-9-23)34(37)38)26-13-17-31(18-14-26)16-12-25(24-6-4-3-5-7-24)19-32-20-28(30-22-32)35(39)40/h2-11,20,22,25-26H,1,12-19,21H2 |
PubChem CID | 483336 |
ChEMBL | CHEMBL322439 |
IUPHAR | N/A |
BindingDB | 50106942 |
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 |
---|---|---|---|---|---|
11382 | C-C chemokine receptor type 5 | P51681 | CCR5 | Homo sapiens (Human) | 352 |
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