Molecule card · MolClass #51272
17387993
17387993: 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
- 17387993Mitochondrial Fusion · compound_name
- MolClass ID
- 51272
- InChIKey
- CFTPVXSVWRNDAG-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NCc1ccccc1)c3cccc(COc2cccc(c2)Cl)c3
- Standard InChI
- InChI=1S/C21H18ClNO2/c22-19-10-5-11-20(13-19)25-15-17-8-4-9-18(12-17)21(24)23-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,23,24)
- Stored Murcko scaffold
- O(c1ccccc1)Cc2cccc([CH]NCc3ccccc3)c2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 351.827 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.384
- 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 · 17387993