Molecule card · MolClass #37470
17401126
17401126: 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
- 17401126Mitochondrial Fusion · compound_name
- MolClass ID
- 37470
- InChIKey
- DXQJQYREKFDBNN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C3=Cc4nn(c2ccccc2)c(N)c4(C(=O)O3)
- Standard InChI
- InChI=1S/C19H15N3O2/c1-12-7-9-13(10-8-12)16-11-15-17(19(23)24-16)18(20)22(21-15)14-5-3-2-4-6-14/h2-11H,20H2,1H3
- Stored Murcko scaffold
- n1c2C=C(O[CH]c2cn1-c3ccccc3)c4ccccc4
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.
- 17401205#33693
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 317.342 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.398
- 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 · 17401126