N-(3-{5-[(6-bromo-1H-indol-3-yl)(6-bromo-3-oxo-1,3-dihydro-2,1-benzoxazol-7-yl)hydroxymethyl]-3,6-dihydroxy-2,5-dihydropyrazin-2-yl}propyl)guanidine
AlkaPlorer ID: AK140943
Synonym: None
IUPAC Name: 2-[3-[(2S)-5-[(6-bromo-1H-indol-3-yl)-(6-bromo-3-oxo-1H-2,1-benzoxazol-7-yl)-hydroxymethyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine
Structure
SMILES: N=C(N)NCCC[C@@H]1N=C(O)C(C(O)(C2=CNC3=CC(Br)=CC=C23)C2=C(Br)C=CC3=C2NOC3=O)N=C1O
InChI: InChI=1S/C24H23Br2N7O5/c25-10-3-4-11-13(9-30-16(11)8-10)24(37,17-14(26)6-5-12-18(17)33-38-22(12)36)19-21(35)31-15(20(34)32-19)2-1-7-29-23(27)28/h3-6,8-9,15,19,30,33,37H,1-2,7H2,(H,31,35)(H,32,34)(H4,27,28,29)/t15-,19?,24?/m0/s1
InChIKey: HHZVDLQSGVLYRE-NQDWNACJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Geodia barretti | Geodia | Geodiidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 649.3000000000001
TPSA？: 209.1
MolLogP？: 3.290370000000002
Number of H-Donors: 8
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Amphibalanus improvisus | Amphibalanus improvisus | Activity | nan | None | 10.1021/np0705209 |
| Amphibalanus improvisus | Amphibalanus improvisus | EC50 | 15.0 | nM | 10.1021/np0705209 |
| Homo sapiens | Serotonin 2a (5-HT2a) receptor | Activity | nan | None | 10.1021/np0705209 |
| Homo sapiens | Serotonin 2c (5-HT2c) receptor | Activity | nan | None | 10.1021/np0705209 |
| Homo sapiens | Serotonin 4 (5-HT4) receptor | Activity | nan | None | 10.1021/np0705209 |