Molecule card · MolClass #39345
7975191
7975191: 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
- 7975191Mitochondrial Fusion · compound_name
- MolClass ID
- 39345
- InChIKey
- DSBSLIPQSXSRMM-UHFFFAOYSA-N
- Canonical SMILES
- N#CC2(CCCN2(C(=O)c1ccco1))(c3ccccc3)
- Standard InChI
- InChI=1S/C16H14N2O2/c17-12-16(13-6-2-1-3-7-13)9-5-10-18(16)15(19)14-8-4-11-20-14/h1-4,6-8,11H,5,9-10H2
- Stored Murcko scaffold
- o1cccc1[CH]N2CCCC2c3ccccc3
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.
- 851591#40268
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.295 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.934
- 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 · 7975191