Molecule card · MolClass #39642
7966730
7966730: 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
- 7966730Mitochondrial Fusion · compound_name
- MolClass ID
- 39642
- InChIKey
- JOAKXHMFCDAVNA-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Cn1cc2CCCCc2(n1))N3CCCC3
- Standard InChI
- InChI=1S/C13H19N3O/c17-13(15-7-3-4-8-15)10-16-9-11-5-1-2-6-12(11)14-16/h9H,1-8,10H2
- Stored Murcko scaffold
- n1c2c(cn1C[CH]N3CCCC3)CCCC2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 233.31 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.352
- 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 · 7966730