Molecule card · MolClass #40451
24829888
24829888: 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
- 24829888Mitochondrial Fusion · compound_name
- MolClass ID
- 40451
- InChIKey
- FLSNRHFZAAEVJQ-UHFFFAOYSA-N
- Canonical SMILES
- CCCCN2C(N)=C(NCc1ccccc1(OC))C(=O)NC2(=O)
- Standard InChI
- InChI=1S/C16H22N4O3/c1-3-4-9-20-14(17)13(15(21)19-16(20)22)18-10-11-7-5-6-8-12(11)23-2/h5-8,18H,3-4,9-10,17H2,1-2H3,(H,19,21,22)
- Stored Murcko scaffold
- [N]1[CH]N[CH]C(=C1)NCc2ccccc2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 318.371 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.317
- 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 · 24829888