Molecule card · MolClass #38822
24811119
24811119: 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
- 24811119Mitochondrial Fusion · compound_name
- MolClass ID
- 38822
- InChIKey
- MIOIKICKVVULMN-UHFFFAOYSA-N
- Canonical SMILES
- NC=2C(=O)Oc1ccccc1C=2N3CCCCC3
- Standard InChI
- InChI=1S/C14H16N2O2/c15-12-13(16-8-4-1-5-9-16)10-6-2-3-7-11(10)18-14(12)17/h2-3,6-7H,1,4-5,8-9,15H2
- Stored Murcko scaffold
- O1[CH]C=C(c2ccccc12)N3CCCCC3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 244.29 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.229
- 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 · 24811119