Molecule card · MolClass #42278
24785306
24785306: 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
- 24785306Mitochondrial Fusion · compound_name
- MolClass ID
- 42278
- InChIKey
- ZCOLCSXCFGHFTI-UHFFFAOYSA-N
- Canonical SMILES
- COc1cccc(c1)C(=O)Nc2cnn(c2)C(C)C
- Standard InChI
- InChI=1S/C14H17N3O2/c1-10(2)17-9-12(8-15-17)16-14(18)11-5-4-6-13(7-11)19-3/h4-10H,1-3H3,(H,16,18)
- Stored Murcko scaffold
- n1cc(c[nH]1)N[CH]c2ccccc2
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
- 3
- 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
- 56.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 259.304 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.691
- 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 · 24785306