Molecule card · MolClass #52016
7970543
7970543: 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
- 7970543Mitochondrial Fusion · compound_name
- MolClass ID
- 52016
- InChIKey
- FSVLFPPPGQBSFJ-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)Cn4c(CN(Cc1ccccc1)Cc2ccccc2)nc3c4(C(=O)N(C)C(=O)N3(C))
- Standard InChI
- InChI=1S/C26H31N5O2/c1-19(2)15-31-22(27-24-23(31)25(32)29(4)26(33)28(24)3)18-30(16-20-11-7-5-8-12-20)17-21-13-9-6-10-14-21/h5-14,19H,15-18H2,1-4H3
- Stored Murcko scaffold
- n1cnc2nc([nH]c2c1)CN(Cc3ccccc3)Cc4ccccc4
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.
- 7970710#52017
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 445.558 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.106
- 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 · 7970543