Molecule card · MolClass #38375
7968269
7968269: 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
- 7968269Mitochondrial Fusion · compound_name
- MolClass ID
- 38375
- InChIKey
- YSEQYHLUZCKCHI-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccc4OCc2cnn(CC(=O)NC(C)CCc1ccco1)c2c4(c3)
- Standard InChI
- InChI=1S/C21H23N3O3/c1-14-5-8-19-18(10-14)21-16(13-27-19)11-22-24(21)12-20(25)23-15(2)6-7-17-4-3-9-26-17/h3-5,8-11,15H,6-7,12-13H2,1-2H3,(H,23,25)
- Stored Murcko scaffold
- n1cc2c(-c3ccccc3OC2)n1C[CH]NCCCc4occc4
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.
- 7965716#40002
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.426 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.222
- 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 · 7968269