Molecule card · MolClass #40411
24829202
24829202: 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
- 24829202Mitochondrial Fusion · compound_name
- MolClass ID
- 40411
- InChIKey
- HQWDSISGUIZPQS-UHFFFAOYSA-N
- Canonical SMILES
- O=C1CCC(=NN1c2ccccc2)C(=O)NCc3ccncc3
- Standard InChI
- InChI=1S/C17H16N4O2/c22-16-7-6-15(20-21(16)14-4-2-1-3-5-14)17(23)19-12-13-8-10-18-11-9-13/h1-5,8-11H,6-7,12H2,(H,19,23)
- Stored Murcko scaffold
- n1ccc(cc1)CN[CH]C2=NN([CH]CC2)c3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.291
- 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 · 24829202