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Name | AC1MEFGH |
---|---|
Molecular formula | C18H31N3S |
IUPAC name | [1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]thiourea |
Molecular weight | 321.527 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 2 |
XlogP | 3.7 |
Synonyms | MolPort-002-158-287 HMS2483P22 [1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]thiourea MCULE-1181021182 |
Inchi Key | AAODAXBGVQWVMB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H31N3S/c1-12(20-21-16(19)22)9-14-10-13-7-6-8-17(2,3)15(13)11-18(14,4)5/h14H,6-11H2,1-5H3,(H3,19,21,22) |
PubChem CID | 2854355 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 79972 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
384 | C-C chemokine receptor type 6 | P51684 | CCR6 | Homo sapiens (Human) | 374 |
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