Molecule card · MolClass #38254
7964864
7964864: 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
- 7964864Mitochondrial Fusion · compound_name
- MolClass ID
- 38254
- InChIKey
- WPHDYUBGDWPYSY-UHFFFAOYSA-N
- Canonical SMILES
- CC4CCCC(C)N4(CCCNC(=O)c3cc2C(=O)N(C)c1ccccc1c2n3(C))
- Standard InChI
- InChI=1S/C24H32N4O2/c1-16-9-7-10-17(2)28(16)14-8-13-25-23(29)21-15-19-22(26(21)3)18-11-5-6-12-20(18)27(4)24(19)30/h5-6,11-12,15-17H,7-10,13-14H2,1-4H3,(H,25,29)
- Stored Murcko scaffold
- n1cc2cc([CH]NCCCN3CCCCC3)[nH]c2c4ccccc14
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 408.537 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.657
- 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 · 7964864