Molecule card · MolClass #37769
4250779
4250779: 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
- 4250779Mitochondrial Fusion · compound_name
- MolClass ID
- 37769
- InChIKey
- IFTGTOYRNNATML-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCC(CC1)NC(=O)CN4C(=O)C2CCCN2c3ncc(cc34)Cl
- Standard InChI
- InChI=1S/C19H25ClN4O2/c1-12-4-6-14(7-5-12)22-17(25)11-24-16-9-13(20)10-21-18(16)23-8-2-3-15(23)19(24)26/h9-10,12,14-15H,2-8,11H2,1H3,(H,22,25)
- 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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 376.881 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.424
- 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 · 4250779