Molecule card · MolClass #44866
4242253
4242253: 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
- 4242253Mitochondrial Fusion · compound_name
- MolClass ID
- 44866
- InChIKey
- HSIZCVDRMNFSIX-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CN4C=C(C(=O)N1CCC2(CC1)(OCCO2))c5c3ccccc3n(C)c5(C4(=O))
- Standard InChI
- InChI=1S/C24H29N3O4/c1-16(2)14-27-15-18(22(28)26-10-8-24(9-11-26)30-12-13-31-24)20-17-6-4-5-7-19(17)25(3)21(20)23(27)29/h4-7,15-16H,8-14H2,1-3H3
- 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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 423.506 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.022
- 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 · 4242253