Molecule card · MolClass #50533
17510145
17510145: 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
- 17510145Mitochondrial Fusion · compound_name
- MolClass ID
- 50533
- InChIKey
- OGJUNEWMAVBDKW-UHFFFAOYSA-N
- Canonical SMILES
- COc3ccc4cc5cc(C(=O)NCCN1CCc2ccccc2(C1))sc5(nc4(c3))
- Standard InChI
- InChI=1S/C24H23N3O2S/c1-29-20-7-6-17-12-19-13-22(30-24(19)26-21(17)14-20)23(28)25-9-11-27-10-8-16-4-2-3-5-18(16)15-27/h2-7,12-14H,8-11,15H2,1H3,(H,25,28)
- Stored Murcko scaffold
- n1c2sc([CH]NCCN3Cc4ccccc4CC3)cc2cc5ccccc15
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
- 82.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 417.525 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.343
- 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 · 17510145