Molecule card · MolClass #39199
7974401
7974401: 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
- 7974401Mitochondrial Fusion · compound_name
- MolClass ID
- 39199
- InChIKey
- HBQXSGQRPONNLL-UHFFFAOYSA-N
- Canonical SMILES
- CC=1OC=2CC(CC(=O)C=2(C(=O)C=1(C)))c3ccccc3
- Standard InChI
- InChI=1S/C17H16O3/c1-10-11(2)20-15-9-13(12-6-4-3-5-7-12)8-14(18)16(15)17(10)19/h3-7,13H,8-9H2,1-2H3
- Stored Murcko scaffold
- O1C=C[CH]C=2[CH]CC(c3ccccc3)CC12
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.
- 14733959#40415
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 268.308 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.959
- 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 · 7974401