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CHEBI:49455 - 4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC ACID

Default Structure
ChEBI IDCHEBI:49455
ChEBI Name4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC25H27N3O2
Net Charge0
Average Mass401.510
Monoisotopic Mass401.21033
SMILES[H]OC(=O)c1c([H])c([H])c(-c2nn([H])c3c2C([H])([H])c2c([H])c(C([H])([H])N([H])[C@]4([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C4([H])[H])c([H])c([H])c2-3)c([H])c1[H]
InChIInChI=1S/C25H27N3O2/c1-15-2-9-20(10-3-15)26-14-16-4-11-21-19(12-16)13-22-23(27-28-24(21)22)17-5-7-18(8-6-17)25(29)30/h4-8,11-12,15,20,26H,2-3,9-10,13-14H2,1H3,(H,27,28)(H,29,30)/t15-,20-
InChIKeyMEDLHZCDTXWLOC-SGNKCFNYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC ACID (CHEBI:49455) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC ACIDPDBeChem
4-(6-{[(cis-4-methylcyclohexyl)amino]methyl}-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)benzoic acidPDBeChem
Manual XrefsDatabases
A58PDBeChem