Molecule card · MolClass #38680
7978076
7978076: 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
- 7978076Mitochondrial Fusion · compound_name
- MolClass ID
- 38680
- InChIKey
- AHTFFTATRDRNSU-UHFFFAOYSA-N
- Canonical SMILES
- CN3C(=O)N1CN(CN2C(=O)N(C)C3(C12))C4CCCCC4
- Standard InChI
- InChI=1S/C14H23N5O2/c1-15-11-12-18(13(15)20)8-17(10-6-4-3-5-7-10)9-19(12)14(21)16(11)2/h10-12H,3-9H2,1-2H3
- Stored Murcko scaffold
- [N]1[CH]N2CN(CN3[CH][N]C1C23)C4CCCCC4
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
- 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
- 50.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 293.365 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.731
- 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 · 7978076