Molecule card · MolClass #38057
24824980
24824980: 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
- 24824980Mitochondrial Fusion · compound_name
- MolClass ID
- 38057
- InChIKey
- RCIKLJLCEILQRK-UHFFFAOYSA-N
- Canonical SMILES
- Cc4cc(C(=O)NNC3CC(=O)N(c1ccc2ccccc2(c1))C3(=O))c(C)o4
- Standard InChI
- InChI=1S/C21H19N3O4/c1-12-9-17(13(2)28-12)20(26)23-22-18-11-19(25)24(21(18)27)16-8-7-14-5-3-4-6-15(14)10-16/h3-10,18,22H,11H2,1-2H3,(H,23,26)
- Stored Murcko scaffold
- o1ccc(c1)[CH]NNC2[CH]N([CH]C2)c3ccc4ccccc4c3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 377.394 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.477
- 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 · 24824980