Molecule card · MolClass #51735
14730526
14730526: 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
- 14730526Mitochondrial Fusion · compound_name
- MolClass ID
- 51735
- InChIKey
- DPMQKEJDXWBHGI-UHFFFAOYSA-N
- Canonical SMILES
- C=C(C)C2Cc3c(C)nn(c1ccccn1)c3(C2)
- Standard InChI
- InChI=1S/C15H17N3/c1-10(2)12-8-13-11(3)17-18(14(13)9-12)15-6-4-5-7-16-15/h4-7,12H,1,8-9H2,2-3H3
- Stored Murcko scaffold
- n1ccccc1-n2ncc3c2CCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 30.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 239.316 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.814
- 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 · 14730526