110271-21-1
AlkaPlorer ID: AK020619
Synonym: '', 'Chartelline B'
IUPAC Name: (1S,5E,13Z)-9,19,21-tribromo-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(Br)=C3[C@@]23CC(=O)N3/C=C(/Cl)C2=C1NC(Br)=N2
InChI: InChI=1S/C20H14Br3ClN4O/c1-19(2)4-3-13-20(15-10(22)5-9(21)6-12(15)25-13)7-14(29)28(20)8-11(24)16-17(19)27-18(23)26-16/h3-6,8H,7H2,1-2H3,(H,26,27)/b4-3-,11-8+/t20-/m1/s1
InChIKey: HMFWDXIIQSKMGY-IHPRAHFHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chartella papyracea | Chartella | Flustridae | Cheilostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 601.5240000000002
TPSA？: 61.35
MolLogP？: 6.295700000000003
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|