Molecule card · MolClass #36184
24828917
24828917: 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
- 24828917Mitochondrial Fusion · compound_name
- MolClass ID
- 36184
- InChIKey
- IQAITVLWGUFXPT-UHFFFAOYSA-N
- Canonical SMILES
- N#CC=1C(=O)CCCN2C(=CSC=12)c3ccc(cc3)Br
- Standard InChI
- InChI=1S/C15H11BrN2OS/c16-11-5-3-10(4-6-11)13-9-20-15-12(8-17)14(19)2-1-7-18(13)15/h3-6,9H,1-2,7H2
- Stored Murcko scaffold
- S1C=C(c2ccccc2)N3C1=C[CH]CCC3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 347.231 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.965
- 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 · 24828917