Molecule card · MolClass #41775
849494
849494: 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
- 849494Mitochondrial Fusion · compound_name
- MolClass ID
- 41775
- InChIKey
- NZAHMJMWPJTVMX-UHFFFAOYSA-N
- Canonical SMILES
- O=C1C=CC(=CN1C(C(=O)NCC2CCCO2)C(=O)c3ccccc3)Cl
- Standard InChI
- InChI=1S/C19H19ClN2O4/c20-14-8-9-16(23)22(12-14)17(18(24)13-5-2-1-3-6-13)19(25)21-11-15-7-4-10-26-15/h1-3,5-6,8-9,12,15,17H,4,7,10-11H2,(H,21,25)
- Stored Murcko scaffold
- O1CCCC1CN[CH]C([CH]c2ccccc2)N3C=CC=C[CH]3
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
- 6
- 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
- 75.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 374.819 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.937
- 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 · 849494