Molecule card · MolClass #48005
14733070
14733070: 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
- 14733070Mitochondrial Fusion · compound_name
- MolClass ID
- 48005
- InChIKey
- AABJEMQLIHBZAW-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)CN2C(=O)c3cccnc3(C2(O))
- Standard InChI
- InChI=1S/C15H14N2O3/c1-20-11-6-4-10(5-7-11)9-17-14(18)12-3-2-8-16-13(12)15(17)19/h2-8,15,19H,9H2,1H3
- Stored Murcko scaffold
- n1cccc2[CH]N(Cc3ccccc3)Cc12
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.284 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.25
- 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 · 14733070