Molecule card · MolClass #48133
24808919
24808919: 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
- 24808919Mitochondrial Fusion · compound_name
- MolClass ID
- 48133
- InChIKey
- IWGQRPHHPRIZGX-UHFFFAOYSA-N
- Canonical SMILES
- COc1cccc(c1)C3c4cc(OC)c(cc4(N=C2CC(C)(C)CC(O)=C23))OC
- Standard InChI
- InChI=1S/C24H27NO4/c1-24(2)12-18-23(19(26)13-24)22(14-7-6-8-15(9-14)27-3)16-10-20(28-4)21(29-5)11-17(16)25-18/h6-11,22,26H,12-13H2,1-5H3
- Stored Murcko scaffold
- N=1c2ccccc2C(c3ccccc3)C4=CCCCC14
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 393.476 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.785
- 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 · 24808919