Molecule card · MolClass #36157
24809341
24809341: 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
- 24809341Mitochondrial Fusion · compound_name
- MolClass ID
- 36157
- InChIKey
- RLWZHDCIBUFLMD-UHFFFAOYSA-N
- Canonical SMILES
- CCn1ncc(c1(C))c3ccnc2cc(nn23)C(=O)O
- Standard InChI
- InChI=1S/C13H13N5O2/c1-3-17-8(2)9(7-15-17)11-4-5-14-12-6-10(13(19)20)16-18(11)12/h4-7H,3H2,1-2H3,(H,19,20)
- Stored Murcko scaffold
- n1cc(c[nH]1)-c2ccnc3ccnn32
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 271.275 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.253
- 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 · 24809341