Molecule card · MolClass #44488
7975664
7975664: 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
- 7975664Mitochondrial Fusion · compound_name
- MolClass ID
- 44488
- InChIKey
- FPSGWWDBEHGUOF-UHFFFAOYSA-N
- Canonical SMILES
- CC34(CN1CCN(CC(C1)C3(O)(CN2CCCCC2))C4)
- Standard InChI
- InChI=1S/C16H29N3O/c1-15-11-18-7-8-19(12-15)10-14(9-18)16(15,20)13-17-5-3-2-4-6-17/h14,20H,2-13H2,1H3
- Stored Murcko scaffold
- N1(CCCCC1)CC2C3CN4CCN(C3)CC2C4
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 279.422 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.184
- 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 · 7975664