Molecule card · MolClass #45612
24818299
24818299: 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
- 24818299Mitochondrial Fusion · compound_name
- MolClass ID
- 45612
- InChIKey
- MKLDDHCSMKTLEI-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)CNC(=O)Cc2noc3ccccc23
- Standard InChI
- InChI=1S/C17H16N2O2/c1-12-6-8-13(9-7-12)11-18-17(20)10-15-14-4-2-3-5-16(14)21-19-15/h2-9H,10-11H2,1H3,(H,18,20)
- Stored Murcko scaffold
- n1oc2ccccc2c1C[CH]NCc3ccccc3
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
- 2
- 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
- 55.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 280.322 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.419
- 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 · 24818299