Molecule card · MolClass #46134
17386940
17386940: 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
- 17386940Mitochondrial Fusion · compound_name
- MolClass ID
- 46134
- InChIKey
- YQUGQGAGFLRFRZ-UHFFFAOYSA-N
- Canonical SMILES
- CCN1CCC(CC1)=NNC(=O)c2ccco2
- Standard InChI
- InChI=1S/C12H17N3O2/c1-2-15-7-5-10(6-8-15)13-14-12(16)11-4-3-9-17-11/h3-4,9H,2,5-8H2,1H3,(H,14,16)
- Stored Murcko scaffold
- N(N[CH]c1occc1)=C2CCNCC2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 235.283 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.887
- 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 · 17386940