Molecule card · MolClass #39995
7973960
7973960: 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
- 7973960Mitochondrial Fusion · compound_name
- MolClass ID
- 39995
- InChIKey
- COEZGGSAVVOELU-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C4=C(N)OC=1CCCC(=O)C=1C34(C(=O)Nc2ccccc23)
- Standard InChI
- InChI=1S/C19H18N2O5/c1-2-25-17(23)15-16(20)26-13-9-5-8-12(22)14(13)19(15)10-6-3-4-7-11(10)21-18(19)24/h3-4,6-7H,2,5,8-9,20H2,1H3,(H,21,24)
- Stored Murcko scaffold
- O1C=CC2([CH]Nc3ccccc32)C=4[CH]CCCC14
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.
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.357 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.654
- 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 · 7973960