Molecule card · MolClass #46635
17510572
17510572: 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
- 17510572Mitochondrial Fusion · compound_name
- MolClass ID
- 46635
- InChIKey
- IMBQKRMWAUAGDC-UHFFFAOYSA-N
- Canonical SMILES
- Cc4ccc(NC(=O)Cn3cccc3(C1=NC(CO1)c2ccccc2))c(C)c4
- Standard InChI
- InChI=1S/C23H23N3O2/c1-16-10-11-19(17(2)13-16)24-22(27)14-26-12-6-9-21(26)23-25-20(15-28-23)18-7-4-3-5-8-18/h3-13,20H,14-15H2,1-2H3,(H,24,27)
- Stored Murcko scaffold
- N1=C(OCC1c2ccccc2)c3cccn3C[CH]Nc4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 373.448 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.046
- 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 · 17510572