Molecule card · MolClass #47861
17401453
17401453: 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
- 17401453Mitochondrial Fusion · compound_name
- MolClass ID
- 47861
- InChIKey
- QCJBVOOBDOKLDR-UHFFFAOYSA-N
- Canonical SMILES
- CCn2c3ccccc3(c(C(=O)O)c2(c1ccccc1))
- Standard InChI
- InChI=1S/C17H15NO2/c1-2-18-14-11-7-6-10-13(14)15(17(19)20)16(18)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,19,20)
- Stored Murcko scaffold
- c1ccc(cc1)-c2cc3ccccc3[nH]2
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.307 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.388
- 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 · 17401453