Molecule card · MolClass #35830
4265050
4265050: 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
- 4265050Mitochondrial Fusion · compound_name
- MolClass ID
- 35830
- InChIKey
- BNECSXUPBHEFGZ-UHFFFAOYSA-N
- Canonical SMILES
- CN1CCN2C(=O)N=C(N=C12)N3CCOCC3
- Standard InChI
- InChI=1S/C10H15N5O2/c1-13-2-3-15-9(13)11-8(12-10(15)16)14-4-6-17-7-5-14/h2-7H2,1H3
- 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.
- 4258295#36766
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 237.259 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.151
- 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 · 4265050