Molecule card · MolClass #43623
7968954
7968954: 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
- 7968954Mitochondrial Fusion · compound_name
- MolClass ID
- 43623
- InChIKey
- CDOXKDCQRGUWEB-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Cn1cc2CCCCCc2(n1))NCCN3CCOCC3
- Standard InChI
- InChI=1S/C16H26N4O2/c21-16(17-6-7-19-8-10-22-11-9-19)13-20-12-14-4-2-1-3-5-15(14)18-20/h12H,1-11,13H2,(H,17,21)
- Stored Murcko scaffold
- n1c2c(cn1C[CH]NCCN3CCOCC3)CCCCC2
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
- 5
- 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
- 59.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 306.404 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.726
- 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 · 7968954