Molecule card · MolClass #47147
17401718
17401718: 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
- 17401718Mitochondrial Fusion · compound_name
- MolClass ID
- 47147
- InChIKey
- ODFAKSQXXGFZLG-UHFFFAOYSA-N
- Canonical SMILES
- CCN1CCN(CC1)CC(=O)c3c(C)n(C)c2ccc(cc23)OC
- Standard InChI
- InChI=1S/C19H27N3O2/c1-5-21-8-10-22(11-9-21)13-18(23)19-14(2)20(3)17-7-6-15(24-4)12-16(17)19/h6-7,12H,5,8-11,13H2,1-4H3
- Stored Murcko scaffold
- c1ccc2c(c[nH]c2c1)[CH]CN3CCNCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 37.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.437 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.016
- 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 · 17401718