Molecule card · MolClass #35927
22415168
22415168: 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
- 22415168Mitochondrial Fusion · compound_name
- MolClass ID
- 35927
- InChIKey
- JOHVBSNOQSCAAQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc1c(NC(=O)C1(O)N2CCCCC2(C))c(c3)Br
- Standard InChI
- InChI=1S/C15H19BrN2O2/c1-9-7-11-13(12(16)8-9)17-14(19)15(11,20)18-6-4-3-5-10(18)2/h7-8,10,20H,3-6H2,1-2H3,(H,17,19)
- Stored Murcko scaffold
- c1ccc2c(c1)N[CH]C2N3CCCCC3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 339.228 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.29
- 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 · 22415168