Molecule card · MolClass #46283
14742103
14742103: 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
- 14742103Mitochondrial Fusion · compound_name
- MolClass ID
- 46283
- InChIKey
- ABFKDTFPJXQMDV-UHFFFAOYSA-N
- Canonical SMILES
- O=C2CC(NNC(=O)c1ccccc1)C(=O)N2
- Standard InChI
- InChI=1S/C11H11N3O3/c15-9-6-8(11(17)12-9)13-14-10(16)7-4-2-1-3-5-7/h1-5,8,13H,6H2,(H,14,16)(H,12,15,17)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]NNC2[CH]N[CH]C2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 233.224 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.426
- 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 · 14742103