Molecule card · MolClass #48267
24834669
24834669: 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
- 24834669Mitochondrial Fusion · compound_name
- MolClass ID
- 48267
- InChIKey
- QBTMRQOMPQNUFW-UHFFFAOYSA-N
- Canonical SMILES
- CN1CCC(CC1)N(C)CC(O)c2ccccc2
- Standard InChI
- InChI=1S/C15H24N2O/c1-16-10-8-14(9-11-16)17(2)12-15(18)13-6-4-3-5-7-13/h3-7,14-15,18H,8-12H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)CCNC2CCNCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 26.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 248.364 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.563
- 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 · 24834669