Molecule card · MolClass #48600
24789386
24789386: 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
- 24789386Mitochondrial Fusion · compound_name
- MolClass ID
- 48600
- InChIKey
- AYCIJUCMYHDZQB-UHFFFAOYSA-N
- Canonical SMILES
- CCN4c1ccccc1N5C(=O)C(=O)N(CC(=O)N2CCN(CC2)c3ccccc3(OC))N=C45
- Standard InChI
- InChI=1S/C24H26N6O4/c1-3-28-17-8-4-5-9-18(17)30-23(33)22(32)29(25-24(28)30)16-21(31)27-14-12-26(13-15-27)19-10-6-7-11-20(19)34-2/h4-11H,3,12-16H2,1-2H3
- Stored Murcko scaffold
- N1=C2Nc3ccccc3N2[CH][CH]N1C[CH]N4CCN(c5ccccc5)CC4
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 462.502 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.925
- 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 · 24789386