Molecule card · MolClass #46678
7966511
7966511: 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
- 7966511Mitochondrial Fusion · compound_name
- MolClass ID
- 46678
- InChIKey
- ZBHQNMUWLNMXKI-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c3c(C)c(c1ccccc1)n(CC(=O)N2CCN(C)CC2)c3(C)
- Standard InChI
- InChI=1S/C22H29N3O3/c1-5-28-22(27)20-16(2)21(18-9-7-6-8-10-18)25(17(20)3)15-19(26)24-13-11-23(4)12-14-24/h6-10H,5,11-15H2,1-4H3
- Stored Murcko scaffold
- c1ccc(cc1)-c2cccn2C[CH]N3CCNCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 383.485 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.727
- 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 · 7966511