Molecule card · MolClass #38108
24802733
24802733: 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
- 24802733Mitochondrial Fusion · compound_name
- MolClass ID
- 38108
- InChIKey
- MKPULMPYJJPLDZ-WQLSENKSSA-N
- Canonical SMILES
- CC2(C)(OC(=CC=C1C(=O)NC(=O)NC1(=O))C=C(O2)c3ccccc3)
- Standard InChI
- InChI=1S/C18H16N2O5/c1-18(2)24-12(10-14(25-18)11-6-4-3-5-7-11)8-9-13-15(21)19-17(23)20-16(13)22/h3-10H,1-2H3,(H2,19,20,21,22,23)/b12-8-
- Stored Murcko scaffold
- O1C(=CC=C2[CH]N[CH]N[CH]2)C=C(OC1)c3ccccc3
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 93.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.331 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.52
- 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 · 24802733