Molecule card · MolClass #41862
3711431
3711431: 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
- 3711431Mitochondrial Fusion · compound_name
- MolClass ID
- 41862
- InChIKey
- MIPPRFOEQWKOCW-UHFFFAOYSA-N
- Canonical SMILES
- N#CC=1C(=O)NC(=O)N2CCCCCC=12
- Standard InChI
- InChI=1S/C10H11N3O2/c11-6-7-8-4-2-1-3-5-13(8)10(15)12-9(7)14/h1-5H2,(H,12,14,15)
- Stored Murcko scaffold
- [CH]1C=C2N([CH]N1)CCCCC2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 205.214 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.162
- 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 · 3711431