Molecule card · MolClass #48714
7978302
7978302: 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
- 7978302Mitochondrial Fusion · compound_name
- MolClass ID
- 48714
- InChIKey
- CTOJEFBTRYBCST-UHFFFAOYSA-N
- Canonical SMILES
- CCN4C(=O)C(CC2=Nc1ccccc1C(=O)N2(C))c3ccccc34
- Standard InChI
- InChI=1S/C20H19N3O2/c1-3-23-17-11-7-5-8-13(17)15(20(23)25)12-18-21-16-10-6-4-9-14(16)19(24)22(18)2/h4-11,15H,3,12H2,1-2H3
- Stored Murcko scaffold
- n1cc2ccccc2nc1CC3[CH][N]c4ccccc43
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 333.385 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.834
- 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 · 7978302