Molecule card · MolClass #43141
24783640
24783640: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24783640Mitochondrial Fusion · compound_name
- MolClass ID
- 43141
- InChIKey
- QVJGNQOMFAMXDT-VMPITWQZSA-N
- Canonical SMILES
- CN(CCC1CCOCC1)C(=O)CC3C(=O)NCCN3(CC=Cc2ccccc2)
- Standard InChI
- InChI=1S/C23H33N3O3/c1-25(14-9-20-10-16-29-17-11-20)22(27)18-21-23(28)24-12-15-26(21)13-5-8-19-6-3-2-4-7-19/h2-8,20-21H,9-18H2,1H3,(H,24,28)/b8-5+
- Stored Murcko scaffold
- [N]([CH]CC1[CH]NCCN1CC=Cc2ccccc2)CCC3CCOCC3
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 399.527 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.818
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24783640