Molecule card · MolClass #45033
24833425
24833425: 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
- 24833425Mitochondrial Fusion · compound_name
- MolClass ID
- 45033
- InChIKey
- WWZCODUPNAXHPZ-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc(C(=O)CN1N=C(C(=O)O)c2ccccc2(C1(=O)))c(C)n3C4CC4
- Standard InChI
- InChI=1S/C20H19N3O4/c1-11-9-16(12(2)23(11)13-7-8-13)17(24)10-22-19(25)15-6-4-3-5-14(15)18(21-22)20(26)27/h3-6,9,13H,7-8,10H2,1-2H3,(H,26,27)
- Stored Murcko scaffold
- N1=Cc2ccccc2[CH]N1C[CH]c3ccn(c3)C4CC4
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
- 6
- 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
- 91.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.383 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.794
- 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 · 24833425