Molecule card · MolClass #48655
865359
865359: 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
- 865359Mitochondrial Fusion · compound_name
- MolClass ID
- 48655
- InChIKey
- ODGVPJVFSBILQO-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C3=C(N)OC=1C=C(C)N(C)C(=O)C=1C3(c2ccncc2)
- Standard InChI
- InChI=1S/C18H19N3O4/c1-4-24-18(23)15-13(11-5-7-20-8-6-11)14-12(25-16(15)19)9-10(2)21(3)17(14)22/h5-9,13H,4,19H2,1-3H3
- Stored Murcko scaffold
- n1ccc(cc1)C2C=COc3ccncc32
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 94.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 341.362 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.236
- 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 · 865359