Molecule card · MolClass #44064
17408344
17408344: 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
- 17408344Mitochondrial Fusion · compound_name
- MolClass ID
- 44064
- InChIKey
- MPVMJLIGSOLTPH-WBJPGKSWSA-N
- Canonical SMILES
- CC(C=NNC(=O)Cc1cccn1(C))=Cc2ccco2
- Standard InChI
- InChI=1S/C15H17N3O2/c1-12(9-14-6-4-8-20-14)11-16-17-15(19)10-13-5-3-7-18(13)2/h3-9,11H,10H2,1-2H3,(H,17,19)/b12-9+,16-11+
- Stored Murcko scaffold
- N(=CC=Cc1occc1)N[CH]Cc2ccc[nH]2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 271.315 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.07
- 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 · 17408344