Molecule card · MolClass #43567
24829502
24829502: 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
- 24829502Mitochondrial Fusion · compound_name
- MolClass ID
- 43567
- InChIKey
- PUUKJMCLIVFFIY-UHFFFAOYSA-N
- Canonical SMILES
- CN1CCC(CC1)N(C)C(=O)C2=CC(=O)c3ccccc3(O2)
- Standard InChI
- InChI=1S/C17H20N2O3/c1-18-9-7-12(8-10-18)19(2)17(21)16-11-14(20)13-5-3-4-6-15(13)22-16/h3-6,11-12H,7-10H2,1-2H3
- Stored Murcko scaffold
- [N]([CH]C=1Oc2ccccc2[CH]C1)C3CCNCC3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.353 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.635
- 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 · 24829502