Molecule card · MolClass #47471
3715631
3715631: 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
- 3715631Mitochondrial Fusion · compound_name
- MolClass ID
- 47471
- InChIKey
- VXZAWZFSFJRXBB-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)c1cccc(c1)C(=O)NCC2(CCCCC2)N(C)C
- Standard InChI
- InChI=1S/C18H29N3O/c1-20(2)16-10-8-9-15(13-16)17(22)19-14-18(21(3)4)11-6-5-7-12-18/h8-10,13H,5-7,11-12,14H2,1-4H3,(H,19,22)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]NCC2CCCCC2
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
- 35.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.443 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.311
- 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 · 3715631