Molecule card · MolClass #37760
7973678
7973678: 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
- 7973678Mitochondrial Fusion · compound_name
- MolClass ID
- 37760
- InChIKey
- HAWULUXWQDUBDE-UHFFFAOYSA-N
- Canonical SMILES
- OC=2CCCC3=Nc4cc(ccc4(NC(c1ccco1)C=23))C(=O)c5ccccc5
- Standard InChI
- InChI=1S/C24H20N2O3/c27-20-9-4-8-18-22(20)23(21-10-5-13-29-21)26-17-12-11-16(14-19(17)25-18)24(28)15-6-2-1-3-7-15/h1-3,5-7,10-14,23,26-27H,4,8-9H2
- Stored Murcko scaffold
- N=1c2cc(ccc2NC(c3occc3)C4=CCCCC14)[CH]c5ccccc5
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 384.428 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.954
- 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 · 7973678