Molecule card · MolClass #15651
1984447
1984447: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 4244467Mitochondrial Fusion · compound_name
- MolClass ID
- 15651
- InChIKey
- ORXWSLDGQVRACV-UHFFFAOYSA-N
- Canonical SMILES
- COc2ccc3oc(C)c(C(=O)Cn1ccnc1)c3(c2)
- Standard InChI
- InChI=1S/C15H14N2O3/c1-10-15(13(18)8-17-6-5-16-9-17)12-7-11(19-2)3-4-14(12)20-10/h3-7,9H,8H2,1-2H3
- Stored Murcko scaffold
- n1ccn(c1)C[CH]c2coc3ccccc32
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.284 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.324
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1984447
Mitochondrial Fusion
Dataset #19 · 4244467