Molecule card · MolClass #38382
7976190
7976190: 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
- 7976190Mitochondrial Fusion · compound_name
- MolClass ID
- 38382
- InChIKey
- ZGUGMCGJBLPSIU-UHFFFAOYSA-N
- Canonical SMILES
- Cc4ccc5OC=C(CN1CC2CC(C1)C3=CC=CC(=O)N3(C2))C(=O)c5(c4)
- Standard InChI
- InChI=1S/C22H22N2O3/c1-14-5-6-20-18(7-14)22(26)17(13-27-20)12-23-9-15-8-16(11-23)19-3-2-4-21(25)24(19)10-15/h2-7,13,15-16H,8-12H2,1H3
- Stored Murcko scaffold
- O1C=C([CH]c2ccccc12)CN3CC4C5=CC=C[CH]N5CC(C3)C4
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
- 49.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 362.423 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.747
- 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 · 7976190