Molecule card · MolClass #40273
849378
849378: 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
- 849378Mitochondrial Fusion · compound_name
- MolClass ID
- 40273
- InChIKey
- VXAJUCDXRCEZBS-UHFFFAOYSA-N
- Canonical SMILES
- NC=3C(=O)Oc1ccccc1C=3(NCCN2CCOCC2)
- Standard InChI
- InChI=1S/C15H19N3O3/c16-13-14(17-5-6-18-7-9-20-10-8-18)11-3-1-2-4-12(11)21-15(13)19/h1-4,17H,5-10,16H2
- Stored Murcko scaffold
- O1[CH]C=C(NCCN2CCOCC2)c3ccccc13
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.33 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.135
- 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 · 849378