Molecule card · MolClass #43132
22413847
22413847: 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
- 22413847Mitochondrial Fusion · compound_name
- MolClass ID
- 43132
- InChIKey
- JVIGWJKQUBKLGK-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc4oc(C(=O)NC2=C(C)N(C)N(c1ccccc1)C2(=O))c(C)c4(cc3Cl)
- Standard InChI
- InChI=1S/C22H20ClN3O3/c1-12-10-18-16(11-17(12)23)13(2)20(29-18)21(27)24-19-14(3)25(4)26(22(19)28)15-8-6-5-7-9-15/h5-11H,1-4H3,(H,24,27)
- Stored Murcko scaffold
- o1c([CH]NC2=CNN([CH]2)c3ccccc3)cc4ccccc14
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 409.866 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.131
- 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 · 22413847