Molecule card · MolClass #52012
7970357
7970357: 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
- 7970357Mitochondrial Fusion · compound_name
- MolClass ID
- 52012
- InChIKey
- UAAGRYJYIMQKAI-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCc1ccccc1)Nc2nnc(o2)c3ccc4CCCCc4(c3)
- Standard InChI
- InChI=1S/C21H21N3O2/c25-19(13-10-15-6-2-1-3-7-15)22-21-24-23-20(26-21)18-12-11-16-8-4-5-9-17(16)14-18/h1-3,6-7,11-12,14H,4-5,8-10,13H2,(H,22,24,25)
- Stored Murcko scaffold
- n1nc(oc1N[CH]CCc2ccccc2)-c3ccc4c(c3)CCCC4
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
- 4
- 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
- 68.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 347.411 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.798
- 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 · 7970357