Molecule card · MolClass #46769
7966780
7966780: 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
- 7966780Mitochondrial Fusion · compound_name
- MolClass ID
- 46769
- InChIKey
- VZYWBAVWBMYUDU-UHFFFAOYSA-N
- Canonical SMILES
- CCN1CCN(CC1)C(=O)c4cc3C(=O)N(C)c2ccccc2c3n4(C)
- Standard InChI
- InChI=1S/C20H24N4O2/c1-4-23-9-11-24(12-10-23)20(26)17-13-15-18(21(17)2)14-7-5-6-8-16(14)22(3)19(15)25/h5-8,13H,4,9-12H2,1-3H3
- Stored Murcko scaffold
- n1cc2cc([CH]N3CCNCC3)[nH]c2c4ccccc14
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 48.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 352.431 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.87
- 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 · 7966780