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Name | 4-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
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Molecular formula | C20H18N4S |
IUPAC name | 4-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile |
Molecular weight | 346.452 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 4.3 |
Synonyms | ZINC5500163 CHEMBL1470578 MLS000558518 862106-37-4 ST50424407 [ Show all ] |
Inchi Key | AIBBGJJMTONBBB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H18N4S/c1-3-12-24-19(18-10-4-15(2)5-11-18)22-23-20(24)25-14-17-8-6-16(13-21)7-9-17/h3-11H,1,12,14H2,2H3 |
PubChem CID | 3705659 |
ChEMBL | CHEMBL1470578 |
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 |
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6053 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
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