Molecule card · MolClass #47419
22411965
22411965: 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
- 22411965Mitochondrial Fusion · compound_name
- MolClass ID
- 47419
- InChIKey
- BQVYUQIDNMOXRH-UHFFFAOYSA-N
- Canonical SMILES
- CCN1CCCC(C1)NC(=O)c2cc(ccc2(OC))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C15H21N3O4/c1-3-17-8-4-5-11(10-17)16-15(19)13-9-12(18(20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,16,19)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]NC2CNCCC2
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.346 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.053
- 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 · 22411965