Molecule card · MolClass #43210
4248472
4248472: 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
- 4248472Mitochondrial Fusion · compound_name
- MolClass ID
- 43210
- InChIKey
- SFVVMJVFUKCYCD-UHFFFAOYSA-N
- Canonical SMILES
- COCCN4C=C(C(=O)N1CCC2(CC1)(OCCO2))c5c3ccccc3n(C)c5(C4(=O))
- Standard InChI
- InChI=1S/C23H27N3O5/c1-24-18-6-4-3-5-16(18)19-17(15-26(11-12-29-2)22(28)20(19)24)21(27)25-9-7-23(8-10-25)30-13-14-31-23/h3-6,15H,7-14H2,1-2H3
- Stored Murcko scaffold
- n1cc([CH]N2CCC3(OCCO3)CC2)c4c(c1)[nH]c5ccccc54
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 425.478 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.754
- 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 · 4248472