Molecule card · MolClass #51996
7972592
7972592: 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
- 7972592Mitochondrial Fusion · compound_name
- MolClass ID
- 51996
- InChIKey
- SDMLOLGNMTTYQK-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cccc(OCCCCCn1ccnc1)c2(C)
- Standard InChI
- InChI=1S/C16H22N2O/c1-14-7-6-8-16(15(14)2)19-12-5-3-4-10-18-11-9-17-13-18/h6-9,11,13H,3-5,10,12H2,1-2H3
- Stored Murcko scaffold
- n1ccn(c1)CCCCCOc2ccccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 27.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 258.359 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.73
- 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 · 7972592