Molecule card · MolClass #38352
7966760
7966760: 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
- 7966760Mitochondrial Fusion · compound_name
- MolClass ID
- 38352
- InChIKey
- OABCLKMPOUYXKO-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc2c(c1)OC3(C)(CC2C(C(=O)N3)C(=O)c4ccccc4(OC))
- Standard InChI
- InChI=1S/C21H21NO5/c1-21-11-15(13-9-8-12(25-2)10-17(13)27-21)18(20(24)22-21)19(23)14-6-4-5-7-16(14)26-3/h4-10,15,18H,11H2,1-3H3,(H,22,24)
- Stored Murcko scaffold
- O1c2ccccc2C3CC1N[CH]C3[CH]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.
- 3121643#17567
- ZINC03911473#23578
- 4244083#38141
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 367.396 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.122
- 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 · 7966760