loading...| Preferred Name |
2-[[[5-(2,6-dimethoxyphenyl)-1-[4-[[3-(dimethylamino)propyl-methylamino]-oxomethyl]-2-propan-2-ylphenyl]-3-pyrazolyl]-oxomethyl]amino]-2-adamantanecarboxylic acid |
| ID |
http://purl.obolibrary.org/obo/CHEBI_93589 |
| charge |
0 |
| database_cross_reference |
LINCS:LSM-4038 |
| formula |
C39H51N5O6 |
| has_obo_namespace |
chebi_ontology |
| id |
CHEBI:93589 |
| in_subset | |
| inchi |
InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48) |
| inchikey |
LWULHXVBLMWCHO-UHFFFAOYSA-N |
| label |
2-[[[5-(2,6-dimethoxyphenyl)-1-[4-[[3-(dimethylamino)propyl-methylamino]-oxomethyl]-2-propan-2-ylphenyl]-3-pyrazolyl]-oxomethyl]amino]-2-adamantanecarboxylic acid |
| mass |
685.854 |
| monoisotopicmass |
685.38393 |
| notation |
CHEBI:93589 |
| prefLabel |
2-[[[5-(2,6-dimethoxyphenyl)-1-[4-[[3-(dimethylamino)propyl-methylamino]-oxomethyl]-2-propan-2-ylphenyl]-3-pyrazolyl]-oxomethyl]amino]-2-adamantanecarboxylic acid |
| smiles |
CC(C)C1=C(C=CC(=C1)C(=O)N(C)CCCN(C)C)N2C(=CC(=N2)C(=O)NC3(C4CC5CC3CC(C4)C5)C(=O)O)C6=C(C=CC=C6OC)OC |
| treeView | |
| subClassOf |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| There are currently no mappings for this class. | |||