Molecule card · MolClass #42935
24835378
24835378: 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
- 24835378Mitochondrial Fusion · compound_name
- MolClass ID
- 42935
- InChIKey
- FQWOBJIQDSNIQB-CMDGGOBGSA-N
- Canonical SMILES
- CCCCN1C(N)=C(C(=O)NC1(=O))N(CC)C(=O)C=Cc2ccco2
- Standard InChI
- InChI=1S/C17H22N4O4/c1-3-5-10-21-15(18)14(16(23)19-17(21)24)20(4-2)13(22)9-8-12-7-6-11-25-12/h6-9,11H,3-5,10,18H2,1-2H3,(H,19,23,24)/b9-8+
- Stored Murcko scaffold
- [N]1[CH]N[CH]C([N][CH]C=Cc2occc2)=C1
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 108.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.382 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.125
- 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 · 24835378