Molecule card · MolClass #44358
14738267
14738267: 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
- 14738267Mitochondrial Fusion · compound_name
- MolClass ID
- 44358
- InChIKey
- ANKSIMHAHFVJGM-HMMYKYKNSA-N
- Canonical SMILES
- Cc3ccccc3(N=C2C(NC(=O)c1ccccc1)OC(O)=C2Cl)
- Standard InChI
- InChI=1S/C18H15ClN2O3/c1-11-7-5-6-10-13(11)20-15-14(19)18(23)24-17(15)21-16(22)12-8-3-2-4-9-12/h2-10,17,23H,1H3,(H,21,22)/b20-15+
- Stored Murcko scaffold
- N(c1ccccc1)=C2C=COC2N[CH]c3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.777 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.924
- 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 · 14738267