Molecule card · MolClass #40773
24827517
24827517: 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
- 24827517Mitochondrial Fusion · compound_name
- MolClass ID
- 40773
- InChIKey
- SKHXWMRNYUPFGV-UHFFFAOYSA-N
- Canonical SMILES
- CC(On2nnc1ccccc12)C(=O)N3CCN(CC3)Cc4ccccc4
- Standard InChI
- InChI=1S/C20H23N5O2/c1-16(27-25-19-10-6-5-9-18(19)21-22-25)20(26)24-13-11-23(12-14-24)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3
- Stored Murcko scaffold
- n1nn(OC[CH]N2CCN(Cc3ccccc3)CC2)c4ccccc14
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.
- 24831062#39996
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 63.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.43 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.302
- 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 · 24827517