Molecule card · MolClass #43734
24834241
24834241: 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
- 24834241Mitochondrial Fusion · compound_name
- MolClass ID
- 43734
- InChIKey
- USVHCLROFSBOHG-UHFFFAOYSA-N
- Canonical SMILES
- CN1C(N)=C(C(=O)NC1(=O))N2CCN(CC2)c3ccccc3
- Standard InChI
- InChI=1S/C15H19N5O2/c1-18-13(16)12(14(21)17-15(18)22)20-9-7-19(8-10-20)11-5-3-2-4-6-11/h2-6H,7-10,16H2,1H3,(H,17,21,22)
- Stored Murcko scaffold
- [N]1[CH]N[CH]C(=C1)N2CCN(c3ccccc3)CC2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 301.344 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.527
- 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 · 24834241