Molecule card · MolClass #48862
4262177
4262177: 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
- 4262177Mitochondrial Fusion · compound_name
- MolClass ID
- 48862
- InChIKey
- AKCWSPBGPWUTAS-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc2ncn(c2(cc1(C)))C4CC(=O)N(Cc3ccccc3)C4(=O)
- Standard InChI
- InChI=1S/C20H19N3O2/c1-13-8-16-17(9-14(13)2)23(12-21-16)18-10-19(24)22(20(18)25)11-15-6-4-3-5-7-15/h3-9,12,18H,10-11H2,1-2H3
- Stored Murcko scaffold
- n1cn(c2ccccc12)C3[CH]N([CH]C3)Cc4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 333.385 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.112
- 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 · 4262177