Molecule card · MolClass #52296
865232
865232: 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
- 865232Mitochondrial Fusion · compound_name
- MolClass ID
- 52296
- InChIKey
- RQZZDKRLSZFNAC-UHFFFAOYSA-N
- Canonical SMILES
- N=C3C(=CC=1C(=O)N4C=CC=CC4(=NC=1N3(Cc2ccc(cc2)Cl)))C(=O)NCc5ccco5
- Standard InChI
- InChI=1S/C24H18ClN5O3/c25-16-8-6-15(7-9-16)14-30-21(26)18(23(31)27-13-17-4-3-11-33-17)12-19-22(30)28-20-5-1-2-10-29(20)24(19)32/h1-12,26H,13-14H2,(H,27,31)
- Stored Murcko scaffold
- N1=C2C=CC=CN2[CH]C=3C=C([CH]NCc4occc4)[CH]N(C13)Cc5ccccc5
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 459.885 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.62
- 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 · 865232