Molecule card · MolClass #52006
7970627
7970627: 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
- 7970627Mitochondrial Fusion · compound_name
- MolClass ID
- 52006
- InChIKey
- QCIMMUKYEVSJHV-UHFFFAOYSA-N
- Canonical SMILES
- CCCc2nc1c(C(=O)N(C)C(=O)N1(C))c(n2)SCC(=O)N4CCCc3ccccc34
- Standard InChI
- InChI=1S/C22H25N5O3S/c1-4-8-16-23-19-18(21(29)26(3)22(30)25(19)2)20(24-16)31-13-17(28)27-12-7-10-14-9-5-6-11-15(14)27/h5-6,9,11H,4,7-8,10,12-13H2,1-3H3
- Stored Murcko scaffold
- n1cnc2ncnc(SC[CH]N3c4ccccc4CCC3)c2c1
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 112.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 439.533 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.987
- 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 · 7970627