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Name | SMR000077435 |
---|---|
Molecular formula | C22H29N5O3S |
IUPAC name | 2-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide |
Molecular weight | 443.566 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 2.9 |
Synonyms | AC1MGCQM MLS002546812 CHEMBL1466031 SR-01000280385 2-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide [ Show all ] |
Inchi Key | AEOYDZOBAHWZDT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H29N5O3S/c1-3-12-27-19(14-20(28)24-17-10-7-11-18(13-17)30-2)25-26-22(27)31-15-21(29)23-16-8-5-4-6-9-16/h3,7,10-11,13,16H,1,4-6,8-9,12,14-15H2,2H3,(H,23,29)(H,24,28) |
PubChem CID | 2959029 |
ChEMBL | CHEMBL1466031 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
3696 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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