Molecule card · MolClass #40019
3714800
3714800: 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
- 3714800Mitochondrial Fusion · compound_name
- MolClass ID
- 40019
- InChIKey
- OUVUHPCPFSJDEU-UHFFFAOYSA-N
- Canonical SMILES
- CC3CN(CC(=O)NC2=C(C)N(C)N(c1ccccc1)C2(=O))CC(C)O3
- Standard InChI
- InChI=1S/C19H26N4O3/c1-13-10-22(11-14(2)26-13)12-17(24)20-18-15(3)21(4)23(19(18)25)16-8-6-5-7-9-16/h5-9,13-14H,10-12H2,1-4H3,(H,20,24)
- Stored Murcko scaffold
- O1CCN(C[CH]NC2=CNN([CH]2)c3ccccc3)CC1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 358.435 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.374
- 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 · 3714800