Molecule card · MolClass #38672
17410095
17410095: 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
- 17410095Mitochondrial Fusion · compound_name
- MolClass ID
- 38672
- InChIKey
- TZNSQCSCCALZRS-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C(=O)Oc2cc(C)nn3cnnc23
- Standard InChI
- InChI=1S/C14H12N4O3/c1-9-7-12(13-16-15-8-18(13)17-9)21-14(19)10-3-5-11(20-2)6-4-10/h3-8H,1-2H3
- Stored Murcko scaffold
- n1nc2c(O[CH]c3ccccc3)ccnn2c1
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 284.271 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.062
- 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 · 17410095