celabenzine
AlkaPlorer ID: AK012851
Synonym: 'celabazine', '', 'Celabenzine'
IUPAC Name: (2S)-9-benzoyl-2-phenyl-1,5,9-triazacyclotridecan-4-one
Structure
SMILES: O=C(C1=CC=CC=C1)N1CCCCN[C@H](C2=CC=CC=C2)CC(O)=NCCC1
InChI: InChI=1S/C23H29N3O2/c27-22-18-21(19-10-3-1-4-11-19)24-14-7-8-16-26(17-9-15-25-22)23(28)20-12-5-2-6-13-20/h1-6,10-13,21,24H,7-9,14-18H2,(H,25,27)/t21-/m0/s1
InChIKey: LSYKFBZWBDMZLQ-NRFANRHFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gymnosporia mossambicensis | Gymnosporia | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 379.5040000000002
TPSA？: 64.93
MolLogP？: 3.9902000000000015
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|