Molecule card · MolClass #39831
24796882
24796882: 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
- 24796882Mitochondrial Fusion · compound_name
- MolClass ID
- 39831
- InChIKey
- RVKYYTVKLWJPOD-UHFFFAOYSA-N
- Canonical SMILES
- CC=1C=CN3C(C=1)=NC(=O)CC3(C)(C(=O)N(CC(=O)NC(C)(C)C)Cc2ccccc2)
- Standard InChI
- InChI=1S/C24H30N4O3/c1-17-11-12-28-19(13-17)25-20(29)14-24(28,5)22(31)27(15-18-9-7-6-8-10-18)16-21(30)26-23(2,3)4/h6-13H,14-16H2,1-5H3,(H,26,30)
- Stored Murcko scaffold
- N=1[CH]CC([CH][N]Cc2ccccc2)N3C=CC=CC13
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 422.521 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.871
- 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 · 24796882