Molecule card · MolClass #41460
4265865
4265865: 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
- 4265865Mitochondrial Fusion · compound_name
- MolClass ID
- 41460
- InChIKey
- CISKEPHUMGOMPO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1c(oc2CC(C)(C)CC(=O)c12)C(=O)N4CCc3ccccc34
- Standard InChI
- InChI=1S/C20H21NO3/c1-12-17-15(22)10-20(2,3)11-16(17)24-18(12)19(23)21-9-8-13-6-4-5-7-14(13)21/h4-7H,8-11H2,1-3H3
- Stored Murcko scaffold
- o1c(cc2[CH]CCCc12)[CH]N3c4ccccc4CC3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 323.386 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.128
- 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 · 4265865