Molecule card · MolClass #40891
4264303
4264303: 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
- 4264303Mitochondrial Fusion · compound_name
- MolClass ID
- 40891
- InChIKey
- OAGCRPUBSZDCLU-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C2C(=O)NC(=NC2(c1ccccc1))N4CCc3ccccc34
- Standard InChI
- InChI=1S/C21H21N3O3/c1-2-27-20(26)17-18(15-9-4-3-5-10-15)22-21(23-19(17)25)24-13-12-14-8-6-7-11-16(14)24/h3-11,17-18H,2,12-13H2,1H3,(H,22,23,25)
- Stored Murcko scaffold
- N1=C(N[CH]CC1c2ccccc2)N3c4ccccc4CC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 363.411 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.315
- 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 · 4264303