Molecule card · MolClass #46723
24785462
24785462: 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
- 24785462Mitochondrial Fusion · compound_name
- MolClass ID
- 46723
- InChIKey
- KEUNBGIRBGQKDT-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CN3C=C(C(=O)N1CCC(C)CC1)c4c2ccccc2n(C)c4(C3(=O))
- Standard InChI
- InChI=1S/C23H29N3O2/c1-15(2)13-26-14-18(22(27)25-11-9-16(3)10-12-25)20-17-7-5-6-8-19(17)24(4)21(20)23(26)28/h5-8,14-16H,9-13H2,1-4H3
- Stored Murcko scaffold
- n1cc([CH]N2CCCCC2)c3c(c1)[nH]c4ccccc43
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
- 4
- 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
- 45.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 379.496 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.31
- 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 · 24785462