Molecule card · MolClass #43001
4242890
4242890: 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
- 4242890Mitochondrial Fusion · compound_name
- MolClass ID
- 43001
- InChIKey
- QUECLWJASNJNRZ-UHFFFAOYSA-N
- Canonical SMILES
- CCc4ccccc4(NC(=O)CN3C(=O)C1CCCN1c2ncc(cc23)Cl)
- Standard InChI
- InChI=1S/C20H21ClN4O2/c1-2-13-6-3-4-7-15(13)23-18(26)12-25-17-10-14(21)11-22-19(17)24-9-5-8-16(24)20(25)27/h3-4,6-7,10-11,16H,2,5,8-9,12H2,1H3,(H,23,26)
- Stored Murcko scaffold
- n1cccc2c1N3CCCC3[CH]N2C[CH]Nc4ccccc4
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
- 65.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 384.86 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.344
- 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 · 4242890