Molecule card · MolClass #42591
14722358
14722358: 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
- 14722358Mitochondrial Fusion · compound_name
- MolClass ID
- 42591
- InChIKey
- OTBKGFWRIQFFOD-UHFFFAOYSA-N
- Canonical SMILES
- O=C1c4ccccc4(C(O)=C1c3ccnc2ccccc23)
- Standard InChI
- InChI=1S/C18H11NO2/c20-17-13-6-1-2-7-14(13)18(21)16(17)12-9-10-19-15-8-4-3-5-11(12)15/h1-10,20H
- Stored Murcko scaffold
- n1ccc(C=2[CH]c3ccccc3C2)c4ccccc14
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
- 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
- 50.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 273.286 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.706
- 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 · 14722358