Molecule card · MolClass #43241
24808018
24808018: 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
- 24808018Mitochondrial Fusion · compound_name
- MolClass ID
- 43241
- InChIKey
- MPUKSSRUGATSAU-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)cc(c1)N(CC(=O)NC2CCCC2)C(=O)C4(C)(CC(=O)N=C3C=CC(C)=CN34)
- Standard InChI
- InChI=1S/C26H32N4O3/c1-17-9-10-22-28-23(31)14-26(4,30(22)15-17)25(33)29(21-12-18(2)11-19(3)13-21)16-24(32)27-20-7-5-6-8-20/h9-13,15,20H,5-8,14,16H2,1-4H3,(H,27,32)
- Stored Murcko scaffold
- N=1[CH]CC([CH]N(c2ccccc2)C[CH]NC3CCCC3)N4C=CC=CC14
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 448.558 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.349
- 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 · 24808018