Molecule card · MolClass #44918
17401771
17401771: 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
- 17401771Mitochondrial Fusion · compound_name
- MolClass ID
- 44918
- InChIKey
- ZZDDZLUSSSJRHQ-UHFFFAOYSA-N
- Canonical SMILES
- CN6C(=O)C3(Oc1ccccc1C2CC(=NN23)c4ccccc4)(c5ccccc56)
- Standard InChI
- InChI=1S/C24H19N3O2/c1-26-20-13-7-6-12-18(20)24(23(26)28)27-21(17-11-5-8-14-22(17)29-24)15-19(25-27)16-9-3-2-4-10-16/h2-14,21H,15H2,1H3
- Stored Murcko scaffold
- [N]1[CH]C2(Oc3ccccc3C4N2N=C(c5ccccc5)C4)c6ccccc16
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.
- 17401659#47656
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 381.427 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.389
- 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 · 17401771