Compound Summary
Mdl 105519
Compound Information
Mdl 105519
Compound Name: | Mdl 105519 |
Compound CID: | 6603913 |
Synonyms: | Mdl 105519 161230-88-2 MDL-105519 MDL 105,519 (E)-3-(2-Carboxy-2-phenylvinyl)-4,6-dichloro-1H-indole-2-carboxylic acid More... |
Iupac Name: | 3-[(E)-2-carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid |
InChI: | InChI=1S/C18H11Cl2NO4/c19-10-6-13(20)15-12(16(18(24)25)21-14(15)7-10)8-11(17(22)23)9-4-2-1-3-5-9/h1-8,21H,(H,22,23)(H,24,25)/b11-8+ |
InChIKey: | LPWVUDLZUVBQGP-DHZHZOJOSA-N |
Canonical Smiles: | C1=CC=C(C=C1)C(=CC2=C(NC3=C2C(=CC(=C3)Cl)Cl)C(=O)O)C(=O)O |
Isomeric Smiles: | C1=CC=C(C=C1)/C(=C\C2=C(NC3=C2C(=CC(=C3)Cl)Cl)C(=O)O)/C(=O)O |
Molecular Weight: | 376.2 |
Molecular Formula: | C18H11Cl2NO4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Mdl 105519
Molecular Weight: | 376.2 |
Molecular Formula: | C18H11Cl2NO4 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 25 |
Complexity: | 561 |
Synonyms
Mdl 105519
| Mdl 105519 | Mdl 105519 |
|---|---|
Mdl 105519 |
161230-88-2 |
MDL-105519 |
MDL 105,519 |
(E)-3-(2-Carboxy-2-phenylvinyl)-4,6-dichloro-1H-indole-2-carboxylic acid |
(E)-4,6-Dichloro-3-(2-phenyl-2-carboxyethenyl)indole-2-carboxylic acid |
3-(E)-2-carboxy-2-phenylethenyl-4,6-dichloro-1H-indole-2-carboxylic acid |
Lopac-M-216 |
Lopac0_000805 |
C18H11Cl2NO4 |
SCHEMBL499902 |
CHEMBL180427 |
AOB5684 |
DTXSID101017669 |
HMS3262B11 |
ZINC1540415 |
Tox21_500805 |
CCG-204889 |
CS-3882 |
LP00805 |
SDCCGSBI-0050782.P002 |
NCGC00015639-01 |
NCGC00015639-02 |
NCGC00015639-03 |
NCGC00015639-04 |
NCGC00094138-02 |
NCGC00261490-01 |
HY-15085 |
EU-0100805 |
M-216 |
X6860 |
A911359 |
SR-01000075460 |
SR-01000075460-1 |
(Z)-2-Carboxy-4,6-dichloroindole-3-(2-phenyl-2-carboxy)-ene |
(E)-3-(2-phenyl-2-carboxyethenyl)-4,6-dichloro-1H-indole-2-carboxylic acid |
Experimental Data
Mdl 105519
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -4.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Mdl 105519
Statistics Data
Mdl 105519
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -4.000000000000000 | 1 | 1 |
Statistics Data Visualization
Mdl 105519
