Molecule card · MolClass #44373
14726779
14726779: 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
- 14726779Mitochondrial Fusion · compound_name
- MolClass ID
- 44373
- InChIKey
- CMYNDEUZCVIRCL-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)NC(=O)CC2NCCNC2(=O)
- Standard InChI
- InChI=1S/C13H17N3O2/c1-9-3-2-4-10(7-9)16-12(17)8-11-13(18)15-6-5-14-11/h2-4,7,11,14H,5-6,8H2,1H3,(H,15,18)(H,16,17)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]CC2[CH]NCCN2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 247.293 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.08
- 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 · 14726779