Molecule card · MolClass #44552
4258081
4258081: 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
- 4258081Mitochondrial Fusion · compound_name
- MolClass ID
- 44552
- InChIKey
- FHCFRKGPYGMQRL-UHFFFAOYSA-N
- Canonical SMILES
- Cc1c(oc2CC(C)(C)CC(=O)c12)C(=O)N3CCN(C)CC3
- Standard InChI
- InChI=1S/C17H24N2O3/c1-11-14-12(20)9-17(2,3)10-13(14)22-15(11)16(21)19-7-5-18(4)6-8-19/h5-10H2,1-4H3
- Stored Murcko scaffold
- o1c(cc2[CH]CCCc12)[CH]N3CCNCC3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.385 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.359
- 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 · 4258081