Molecule card · MolClass #47317
24818620
24818620: 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
- 24818620Mitochondrial Fusion · compound_name
- MolClass ID
- 47317
- InChIKey
- UIENMNKSUFAWEB-UHFFFAOYSA-N
- Canonical SMILES
- Cc2ccc(NC(=O)CN1CCCCC1)c3OC(C)(C)Cc23
- Standard InChI
- InChI=1S/C18H26N2O2/c1-13-7-8-15(17-14(13)11-18(2,3)22-17)19-16(21)12-20-9-5-4-6-10-20/h7-8H,4-6,9-12H2,1-3H3,(H,19,21)
- Stored Murcko scaffold
- O1c2c(cccc2CC1)N[CH]CN3CCCCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.412 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.74
- 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 · 24818620