Molecule card · MolClass #39861
3714014
3714014: 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
- 3714014Mitochondrial Fusion · compound_name
- MolClass ID
- 39861
- InChIKey
- GUOLMYZDVYSATB-UHFFFAOYSA-N
- Canonical SMILES
- Oc2onc(c1ccccc1)c2C=3CCCCCN=3
- Standard InChI
- InChI=1S/C15H16N2O2/c18-15-13(12-9-5-2-6-10-16-12)14(17-19-15)11-7-3-1-4-8-11/h1,3-4,7-8,18H,2,5-6,9-10H2
- Stored Murcko scaffold
- n1occ(c1-c2ccccc2)C3=NCCCCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 256.3 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.385
- 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 · 3714014