Molecule card · MolClass #41518
7966265
7966265: 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
- 7966265Mitochondrial Fusion · compound_name
- MolClass ID
- 41518
- InChIKey
- RRFGOQCRZKOLDC-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Cn3ncc2C(=O)Oc1ccccc1c23)NCC4CCCO4
- Standard InChI
- InChI=1S/C17H17N3O4/c21-15(18-8-11-4-3-7-23-11)10-20-16-12-5-1-2-6-14(12)24-17(22)13(16)9-19-20/h1-2,5-6,9,11H,3-4,7-8,10H2,(H,18,21)
- Stored Murcko scaffold
- n1cc2[CH]Oc3ccccc3-c2n1C[CH]NCC4OCCC4
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.632
- 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 · 7966265