Molecule card · MolClass #46698
7968782
7968782: 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
- 7968782Mitochondrial Fusion · compound_name
- MolClass ID
- 46698
- InChIKey
- DCGXHZJGPATDIZ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(nc1)N4C(=O)C=2Oc5ccccc5(C(=O)C=2C4(c3cccnc3))
- Standard InChI
- InChI=1S/C22H15N3O3/c1-13-8-9-17(24-11-13)25-19(14-5-4-10-23-12-14)18-20(26)15-6-2-3-7-16(15)28-21(18)22(25)27/h2-12,19H,1H3
- Stored Murcko scaffold
- n1cccc(c1)C2C=3[CH]c4ccccc4OC3[CH]N2c5ncccc5
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 369.374 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.473
- 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 · 7968782