Molecule card · MolClass #39913
17509291
17509291: 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
- 17509291Mitochondrial Fusion · compound_name
- MolClass ID
- 39913
- InChIKey
- ICWPONHJHUMSHE-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CC(=O)c1ccccc1)Nc2cccnc2Cl
- Standard InChI
- InChI=1S/C14H11ClN2O2/c15-14-11(7-4-8-16-14)17-13(19)9-12(18)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,19)
- Stored Murcko scaffold
- n1cccc(c1)N[CH]C[CH]c2ccccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 274.703 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.924
- 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 · 17509291