110271-22-2
AlkaPlorer ID: AK020646
Synonym: '', 'Chartelline C'
IUPAC Name: (1S,5E,13Z)-9,19-dibromo-6-chloro-12,12-dimethyl-4,8,10,16-tetrazapentacyclo[13.7.0.01,4.07,11.017,22]docosa-5,7(11),8,13,15,17(22),18,20-octaen-3-one
Structure
SMILES: CC1(C)/C=C\C2=NC3=CC(Br)=CC=C3[C@@]23CC(=O)N3/C=C(/Cl)C2=C1NC(Br)=N2
InChI: InChI=1S/C20H15Br2ClN4O/c1-19(2)6-5-14-20(11-4-3-10(21)7-13(11)24-14)8-15(28)27(20)9-12(23)16-17(19)26-18(22)25-16/h3-7,9H,8H2,1-2H3,(H,25,26)/b6-5-,12-9+/t20-/m0/s1
InChIKey: YZUYHGCIGFNZJF-RKHPJWSXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chartella papyracea | Chartella | Flustridae | Cheilostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 522.6280000000002
TPSA？: 61.35
MolLogP？: 5.533200000000003
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|