Molecule card · MolClass #45610
24789630
24789630: 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
- 24789630Mitochondrial Fusion · compound_name
- MolClass ID
- 45610
- InChIKey
- QKKROWQKHDNSGW-UHFFFAOYSA-N
- Canonical SMILES
- Oc1c3ncccc3(c(cc1[N+](=O)[O-])CN2CCOCC2)
- Standard InChI
- InChI=1S/C14H15N3O4/c18-14-12(17(19)20)8-10(9-16-4-6-21-7-5-16)11-2-1-3-15-13(11)14/h1-3,8,18H,4-7,9H2
- Stored Murcko scaffold
- n1cccc2c1cccc2CN3CCOCC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.287 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.82
- 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 · 24789630