Molecule card · MolClass #45878
7978220
7978220: 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
- 7978220Mitochondrial Fusion · compound_name
- MolClass ID
- 45878
- InChIKey
- YMTMHHXTGUZFNK-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1(C))N3N=Nc2ccccc2C3(=O)
- Standard InChI
- InChI=1S/C15H13N3O/c1-10-7-8-12(9-11(10)2)18-15(19)13-5-3-4-6-14(13)16-17-18/h3-9H,1-2H3
- Stored Murcko scaffold
- N1=NN([CH]c2ccccc12)c3ccccc3
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.
- 24824333#33022
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 251.284 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.296
- 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 · 7978220