Molecule card · MolClass #40304
7968576
7968576: 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
- 7968576Mitochondrial Fusion · compound_name
- MolClass ID
- 40304
- InChIKey
- RIQRFNSVNTUXAT-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Cn1cc2CCCCCc2(n1))NC3CCCCCC3
- Standard InChI
- InChI=1S/C17H27N3O/c21-17(18-15-9-5-1-2-6-10-15)13-20-12-14-8-4-3-7-11-16(14)19-20/h12,15H,1-11,13H2,(H,18,21)
- Stored Murcko scaffold
- n1c2c(cn1C[CH]NC3CCCCCC3)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
- 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
- 46.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.416 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.67
- 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 · 7968576