Molecule card · MolClass #40042
14741196
14741196: 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
- 14741196Mitochondrial Fusion · compound_name
- MolClass ID
- 40042
- InChIKey
- BQVQIJXPCGSCDD-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)c3c4C(=O)N(C)C(=O)N(C)c4(cn3(C2CCCCC2))
- Standard InChI
- InChI=1S/C21H25N3O2/c1-14-8-7-9-15(12-14)19-18-17(22(2)21(26)23(3)20(18)25)13-24(19)16-10-5-4-6-11-16/h7-9,12-13,16H,4-6,10-11H2,1-3H3
- Stored Murcko scaffold
- n1cnc2cn(c(-c3ccccc3)c2c1)C4CCCCC4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 351.443 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.486
- 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 · 14741196