Molecule card · MolClass #47019
24829222
24829222: 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
- 24829222Mitochondrial Fusion · compound_name
- MolClass ID
- 47019
- InChIKey
- NAMNIWFRIPQVAO-GIJQJNRQSA-N
- Canonical SMILES
- COc1ccc(cc1)NC=3N=C2C=CC(C)=CN2C(=O)C=3(C=NO)
- Standard InChI
- InChI=1S/C17H16N4O3/c1-11-3-8-15-20-16(14(9-18-23)17(22)21(15)10-11)19-12-4-6-13(24-2)7-5-12/h3-10,19,23H,1-2H3/b18-9+
- Stored Murcko scaffold
- N=1C(=C[CH]N2C=CC=CC12)Nc3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 324.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.233
- 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 · 24829222