Molecule card · MolClass #36539
4261955
4261955: 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
- 4261955Mitochondrial Fusion · compound_name
- MolClass ID
- 36539
- InChIKey
- JILRFEZKPWVOKX-UHFFFAOYSA-N
- Canonical SMILES
- O=C1N=C(N=C2OCCN12)N3CCCCC3
- Standard InChI
- InChI=1S/C10H14N4O2/c15-9-11-8(13-4-2-1-3-5-13)12-10-14(9)6-7-16-10/h1-7H2
- Stored Murcko scaffold
- N=1[CH]N2C(=NC1N3CCCCC3)OCC2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 222.244 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.699
- 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 · 4261955