Molecule card · MolClass #38506
7976657
7976657: 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
- 7976657Mitochondrial Fusion · compound_name
- MolClass ID
- 38506
- InChIKey
- CMJPPEXKEOZMHW-UHFFFAOYSA-N
- Canonical SMILES
- O=C2C=CC=CC=C2(NCc1ccccc1)
- Standard InChI
- InChI=1S/C14H13NO/c16-14-10-6-2-5-9-13(14)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,15,16)
- Stored Murcko scaffold
- C=1C=CC=C([CH]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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 211.26 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.751
- 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 · 7976657