Molecule card · MolClass #36766
4258295
4258295: 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
- 4258295Mitochondrial Fusion · compound_name
- MolClass ID
- 36766
- InChIKey
- KWWGNRDPPIMFLC-UHFFFAOYSA-N
- Canonical SMILES
- CCN1CCN2C(=O)N=C(N=C12)N3CCOCC3
- Standard InChI
- InChI=1S/C11H17N5O2/c1-2-14-3-4-16-10(14)12-9(13-11(16)17)15-5-7-18-8-6-15/h2-8H2,1H3
- Stored Murcko scaffold
- N=1[CH]N2C(=NC1N3CCOCC3)NCC2
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.
- 4265050#35830
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 251.285 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.272
- 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 · 4258295