Molecule card · MolClass #46805
14746426
14746426: 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
- 14746426Mitochondrial Fusion · compound_name
- MolClass ID
- 46805
- InChIKey
- RWHSKYOYQJWJBT-SRZZPIQSSA-N
- Canonical SMILES
- COc3ccc(C=Nc1cccc2C(=O)NNC(=O)c12)c4ccccc34
- Standard InChI
- InChI=1S/C20H15N3O3/c1-26-17-10-9-12(13-5-2-3-6-14(13)17)11-21-16-8-4-7-15-18(16)20(25)23-22-19(15)24/h2-11H,1H3,(H,22,24)(H,23,25)/b21-11+
- Stored Murcko scaffold
- N(=Cc1cccc2ccccc12)c3cccc4c[nH][nH]cc34
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 345.352 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.393
- 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 · 14746426