Molecule card · MolClass #48112
24784965
24784965: 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
- 24784965Mitochondrial Fusion · compound_name
- MolClass ID
- 48112
- InChIKey
- ORJXVPBVCDSVIH-UHFFFAOYSA-N
- Canonical SMILES
- CCOc4ccccc4(CNC(=O)C1=CN(C)C(=O)c3c1c2ccccc2n3(C))
- Standard InChI
- InChI=1S/C23H23N3O3/c1-4-29-19-12-8-5-9-15(19)13-24-22(27)17-14-25(2)23(28)21-20(17)16-10-6-7-11-18(16)26(21)3/h5-12,14H,4,13H2,1-3H3,(H,24,27)
- Stored Murcko scaffold
- n1cc([CH]NCc2ccccc2)c3c(c1)[nH]c4ccccc43
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 389.448 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.766
- 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 · 24784965