Molecule card · MolClass #41156
7965186
7965186: 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
- 7965186Mitochondrial Fusion · compound_name
- MolClass ID
- 41156
- InChIKey
- TXLOQRLZAYZTPA-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Cn1cc2CCCCc2(n1))NC3CCCCCC3
- Standard InChI
- InChI=1S/C16H25N3O/c20-16(17-14-8-3-1-2-4-9-14)12-19-11-13-7-5-6-10-15(13)18-19/h11,14H,1-10,12H2,(H,17,20)
- Stored Murcko scaffold
- n1c2c(cn1C[CH]NC3CCCCCC3)CCCC2
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
- 275.39 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.101
- 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 · 7965186