Molecule card · MolClass #47786
24807165
24807165: 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
- 24807165Mitochondrial Fusion · compound_name
- MolClass ID
- 47786
- InChIKey
- NLENUXQYGCDSNE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)nc(n1)NC(=N)N3CCc2ccccc23
- Standard InChI
- InChI=1S/C15H17N5/c1-10-9-11(2)18-15(17-10)19-14(16)20-8-7-12-5-3-4-6-13(12)20/h3-6,9H,7-8H2,1-2H3,(H2,16,17,18,19)
- Stored Murcko scaffold
- n1cccnc1N[CH]N2c3ccccc3CC2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.33 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.006
- 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 · 24807165