Molecule card · MolClass #51605
14734255
14734255: 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
- 14734255Mitochondrial Fusion · compound_name
- MolClass ID
- 51605
- InChIKey
- ODXJBYAPVGQMJQ-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccc2ncc(C(=O)OCC)c(c2(c1))N3CCN(CC3)c4ccccc4(OC)
- Standard InChI
- InChI=1S/C25H29N3O4/c1-4-31-18-10-11-21-19(16-18)24(20(17-26-21)25(29)32-5-2)28-14-12-27(13-15-28)22-8-6-7-9-23(22)30-3/h6-11,16-17H,4-5,12-15H2,1-3H3
- Stored Murcko scaffold
- n1ccc(c2ccccc12)N3CCN(c4ccccc4)CC3
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.
- 14732749#51659
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 435.516 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.997
- 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 · 14734255