Caledonin
AlkaPlorer ID: AK318193
Synonym: None
IUPAC Name: 3-amino-N-[1-[2-(octylamino)-5,6-dihydro-4H-pyrimidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-5-sulfanylpentanamide
Structure
SMILES: CCCCCCCCN=C1NCCCN1C(=O)C(CC1=CC=CC=C1)N=C(O)CC(N)CCS
InChI: InChI=1S/C26H43N5O2S/c1-2-3-4-5-6-10-15-28-26-29-16-11-17-31(26)25(33)23(19-21-12-8-7-9-13-21)30-24(32)20-22(27)14-18-34/h7-9,12-13,22-23,34H,2-6,10-11,14-20,27H2,1H3,(H,28,29)(H,30,32)
InChIKey: AVNDDJCOCWPTBQ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 489.73000000000025
TPSA？: 103.31
MolLogP？: 4.129900000000004
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|