Molecule card · MolClass #48082
24791621
24791621: 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
- 24791621Mitochondrial Fusion · compound_name
- MolClass ID
- 48082
- InChIKey
- FFVWXPGYTIZUCO-MLPAPPSSSA-N
- Canonical SMILES
- Cc1cccc(c1)N4C(=O)NC(=O)C(=Cc2cc3OCOc3(cc2[N+](=O)[O-]))C4(=O)
- Standard InChI
- InChI=1S/C19H13N3O7/c1-10-3-2-4-12(5-10)21-18(24)13(17(23)20-19(21)25)6-11-7-15-16(29-9-28-15)8-14(11)22(26)27/h2-8H,9H2,1H3,(H,20,23,25)/b13-6-
- Stored Murcko scaffold
- O1c2ccc(C=C3[CH]N[CH]N([CH]3)c4ccccc4)cc2OC1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 128.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 395.323 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.218
- 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 · 24791621