Molecule card · MolClass #40105
14727115
14727115: 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
- 14727115Mitochondrial Fusion · compound_name
- MolClass ID
- 40105
- InChIKey
- IVCYKDGSQAGJHW-UHFFFAOYSA-N
- Canonical SMILES
- O=C2C(CCc3c1C(=O)N4CCCCCC4(=Nc1sc23))Br
- Standard InChI
- InChI=1S/C15H15BrN2O2S/c16-9-6-5-8-11-14(21-13(8)12(9)19)17-10-4-2-1-3-7-18(10)15(11)20/h9H,1-7H2
- Stored Murcko scaffold
- N=1c2sc3[CH]CCCc3c2[CH]N4C1CCCCC4
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 367.262 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.731
- 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 · 14727115