Molecule card · MolClass #43689
24784932
24784932: 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
- 24784932Mitochondrial Fusion · compound_name
- MolClass ID
- 43689
- InChIKey
- FVMASSZHFBWETD-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCc2nnc(CCC1CCCCC1)o2)NCc3ccon3
- Standard InChI
- InChI=1S/C17H24N4O3/c22-15(18-12-14-10-11-23-21-14)7-9-17-20-19-16(24-17)8-6-13-4-2-1-3-5-13/h10-11,13H,1-9,12H2,(H,18,22)
- Stored Murcko scaffold
- n1nc(oc1CC[CH]NCc2nocc2)CCC3CCCCC3
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
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 94.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.398 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.224
- 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 · 24784932