Molecule card · MolClass #47898
4243415
4243415: 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
- 4243415Mitochondrial Fusion · compound_name
- MolClass ID
- 47898
- InChIKey
- IWBSJWRTLHYIEW-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1cccnc1)C3=COC(=O)c2ccccc23
- Standard InChI
- InChI=1S/C15H10N2O3/c18-14(17-10-4-3-7-16-8-10)13-9-20-15(19)12-6-2-1-5-11(12)13/h1-9H,(H,17,18)
- Stored Murcko scaffold
- n1cccc(c1)N[CH]C2=CO[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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 68.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.252 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.723
- 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 · 4243415