Molecule card · MolClass #48203
7968402
7968402: 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
- 7968402Mitochondrial Fusion · compound_name
- MolClass ID
- 48203
- InChIKey
- IVHPVDITAZRAAC-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)N1CCN(CC1)C=3C(=O)C(=O)C=3(NCc2ccccc2(OC))
- Standard InChI
- InChI=1S/C19H23N3O5/c1-3-27-19(25)22-10-8-21(9-11-22)16-15(17(23)18(16)24)20-12-13-6-4-5-7-14(13)26-2/h4-7,20H,3,8-12H2,1-2H3
- Stored Murcko scaffold
- [N]1CCN(C=2[CH][CH]C2NCc3ccccc3)CC1
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 373.404 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.205
- 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 · 7968402