Molecule card · MolClass #35876
7964793
7964793: 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
- 7964793Mitochondrial Fusion · compound_name
- MolClass ID
- 35876
- InChIKey
- AHUNEIURFSHPBF-UHFFFAOYSA-N
- Canonical SMILES
- CCN3CCCC3(CNC(=O)Cn1cc2CC(C)CCc2(n1))
- Standard InChI
- InChI=1S/C17H28N4O/c1-3-20-8-4-5-15(20)10-18-17(22)12-21-11-14-9-13(2)6-7-16(14)19-21/h11,13,15H,3-10,12H2,1-2H3,(H,18,22)
- Stored Murcko scaffold
- n1c2c(cn1C[CH]NCC3NCCC3)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
- 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
- 50.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.431 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.031
- 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 · 7964793