Molecule card · MolClass #45560
24817718
24817718: 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
- 24817718Mitochondrial Fusion · compound_name
- MolClass ID
- 45560
- InChIKey
- SNTFDIWQZQTNDR-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nn(C)c(Oc1ccccc1)c2(CCNC(=O)C(C)(C)C)
- Standard InChI
- InChI=1S/C18H25N3O2/c1-13-15(11-12-19-17(22)18(2,3)4)16(21(5)20-13)23-14-9-7-6-8-10-14/h6-10H,11-12H2,1-5H3,(H,19,22)
- Stored Murcko scaffold
- n1ccc(Oc2ccccc2)[nH]1
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.411 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.009
- 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 · 24817718