ethyl 2-(2-bromo-5-{1-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]-2-phenyl-1H-indole-6-carbonyl}thiophen-3-yl)acetate
AlkaPlorer ID: AK086374
Synonym: None
IUPAC Name: ethyl 2-[2-bromo-5-[1-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-phenylindole-6-carbonyl]thiophen-3-yl]acetate
Structure
SMILES: CCOC(=O)CC1=C(Br)SC(C(=O)C2=CC=C3C=C(C4=CC=CC=C4)N(CCCCN4C(=O)C5=CC=CC=C5C4=O)C3=C2)=C1
InChI: InChI=1S/C35H29BrN2O5S/c1-2-43-31(39)21-25-20-30(44-33(25)36)32(40)24-15-14-23-18-28(22-10-4-3-5-11-22)37(29(23)19-24)16-8-9-17-38-34(41)26-12-6-7-13-27(26)35(38)42/h3-7,10-15,18-20H,2,8-9,16-17,21H2,1H3
InChIKey: LQFUMPPRLKBXGE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Valeriana officinalis | Valeriana | Caprifoliaceae | Dipsacales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 669.5970000000003
TPSA？: 85.68
MolLogP？: 7.545300000000008
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|