Compound Summary
VER-3323 hemifumarate salt
Compound Information
VER-3323 hemifumarate salt
Compound Name: | VER-3323 hemifumarate salt |
Compound CID: | 11957577 |
Synonyms: | VER-3323 hemifumarate salt EU-0100659 CHEMBL1316222 DTXSID401017620 HMS3262C19 More... |
Iupac Name: | (2S)-1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine;(E)-but-2-enedioic acid |
InChI: | InChI=1S/2C11H15BrN2.C4H4O4/c2*1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14;5-3(6)1-2-4(7)8/h2*2-3,6,8H,4-5,7,13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*8-;/m00./s1 |
InChIKey: | OVMCXOXPVJBUSU-SQWFREPVSA-N |
Canonical Smiles: | CC(CN1CCC2=C1C=C(C=C2)Br)N.CC(CN1CCC2=C1C=C(C=C2)Br)N.C(=CC(=O)O)C(=O)O |
Isomeric Smiles: | C[C@@H](CN1CCC2=C1C=C(C=C2)Br)N.C[C@@H](CN1CCC2=C1C=C(C=C2)Br)N.C(=C/C(=O)O)\C(=O)O |
Molecular Weight: | 626.4 |
Molecular Formula: | C26H34Br2N4O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
VER-3323 hemifumarate salt
Molecular Weight: | 626.4 |
Molecular Formula: | C26H34Br2N4O4 |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 8 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 36 |
Complexity: | 317 |
Synonyms
VER-3323 hemifumarate salt
| VER-3323 hemifumarate salt | VER-3323 hemifumarate salt |
|---|---|
VER-3323 hemifumarate salt |
EU-0100659 |
CHEMBL1316222 |
DTXSID401017620 |
HMS3262C19 |
Tox21_500659 |
(S)-1-(6-Bromo-2,3-dihydroindol-1-yl)-2-propylamine hemifumarate salt |
CCG-221963 |
LP00659 |
NCGC00094021-01 |
NCGC00261344-01 |
V 1889 |
(2S)-1-(6-Bromo-2,3-dihydro-1H-indol-1-yl)-2-propanamine (2E)-2-butenedioate (2:1) |
1197333-70-2 |
Experimental Data
VER-3323 hemifumarate salt
| 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 | -24.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
VER-3323 hemifumarate salt
Statistics Data
VER-3323 hemifumarate salt
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -24.000000000000000 | 1 | 1 |
Statistics Data Visualization
VER-3323 hemifumarate salt
