Molecule card · MolClass #47842
14727916
14727916: 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
- 14727916Mitochondrial Fusion · compound_name
- MolClass ID
- 47842
- InChIKey
- GWOAPMBNZFGLSA-UHFFFAOYSA-N
- Canonical SMILES
- CC3(O)(C(=O)c1ccccc1N(c2ccccc2)C3(=O))
- Standard InChI
- InChI=1S/C16H13NO3/c1-16(20)14(18)12-9-5-6-10-13(12)17(15(16)19)11-7-3-2-4-8-11/h2-10,20H,1H3
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]C[CH]c3ccccc32
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.
- 4260351#48179
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 57.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.28 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.523
- 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 · 14727916