Molecule card · MolClass #39592
17401712
17401712: 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
- 17401712Mitochondrial Fusion · compound_name
- MolClass ID
- 39592
- InChIKey
- DXWZBFBWUGZCLO-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc2C(C)=NN(C)c3cccc1c23
- Standard InChI
- InChI=1S/C14H14N2O/c1-9-10-7-8-13(17-3)11-5-4-6-12(14(10)11)16(2)15-9/h4-8H,1-3H3
- Stored Murcko scaffold
- N1=Cc2cccc3cccc(N1)c23
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.
- 14740154#27880
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 24.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 226.274 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.315
- 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 · 17401712