Molecule card · MolClass #44104
7972603
7972603: 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
- 7972603Mitochondrial Fusion · compound_name
- MolClass ID
- 44104
- InChIKey
- RUCUUIZJDLHULU-UHFFFAOYSA-N
- Canonical SMILES
- CC1(C)(CC(=O)C=C(C1)NCCCNC2CCCCC2)
- Standard InChI
- InChI=1S/C17H30N2O/c1-17(2)12-15(11-16(20)13-17)19-10-6-9-18-14-7-4-3-5-8-14/h11,14,18-19H,3-10,12-13H2,1-2H3
- Stored Murcko scaffold
- C=1[CH]CCCC1NCCCNC2CCCCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 278.434 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.147
- 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 · 7972603