Molecule card · MolClass #39818
17409977
17409977: 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
- 17409977Mitochondrial Fusion · compound_name
- MolClass ID
- 39818
- InChIKey
- ZFHYXCMZWOMYEO-UHFFFAOYSA-N
- Canonical SMILES
- COc3ccccc3(NC(=O)C1=NN(C=CC1(=O))c2ccccc2)
- Standard InChI
- InChI=1S/C18H15N3O3/c1-24-16-10-6-5-9-14(16)19-18(23)17-15(22)11-12-21(20-17)13-7-3-2-4-8-13/h2-12H,1H3,(H,19,23)
- Stored Murcko scaffold
- N1=C([CH]C=CN1c2ccccc2)[CH]Nc3ccccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 321.331 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.581
- 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 · 17409977