Molecule card · MolClass #43965
24782907
24782907: 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
- 24782907Mitochondrial Fusion · compound_name
- MolClass ID
- 43965
- InChIKey
- BWVGPYGHCGTTHG-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCCN(C1)c2cc(c(c3nonc23)[N+](=O)[O-])N(C)CCO
- Standard InChI
- InChI=1S/C15H21N5O4/c1-10-4-3-5-19(9-10)11-8-12(18(2)6-7-21)15(20(22)23)14-13(11)16-24-17-14/h8,10,21H,3-7,9H2,1-2H3
- Stored Murcko scaffold
- n1onc2c1cccc2N3CCCCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 108.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.359 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.554
- 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 · 24782907