Molecule card · MolClass #43073
4246002
4246002: 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
- 4246002Mitochondrial Fusion · compound_name
- MolClass ID
- 43073
- InChIKey
- FJLGJANOBJUUJF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)n3nnc2C(=O)N(C=Nc23)CC(=O)N4CCC(C)CC4
- Standard InChI
- InChI=1S/C19H22N6O2/c1-13-3-5-15(6-4-13)25-18-17(21-22-25)19(27)24(12-20-18)11-16(26)23-9-7-14(2)8-10-23/h3-6,12,14H,7-11H2,1-2H3
- Stored Murcko scaffold
- n1nn(-c2ccccc2)c3N=CN([CH]c13)C[CH]N4CCCCC4
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.418 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.993
- 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 · 4246002