Molecule card · MolClass #52021
7968535
7968535: 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
- 7968535Mitochondrial Fusion · compound_name
- MolClass ID
- 52021
- InChIKey
- DLDHDIRQCIPVKR-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1(C))N2CCN(CC2)C(=O)c4cc5c(C)nc3ccccc3c5(o4)
- Standard InChI
- InChI=1S/C25H25N3O2/c1-16-7-6-10-22(17(16)2)27-11-13-28(14-12-27)25(29)23-15-20-18(3)26-21-9-5-4-8-19(21)24(20)30-23/h4-10,15H,11-14H2,1-3H3
- Stored Murcko scaffold
- n1cc2cc(oc2c3ccccc13)[CH]N4CCN(c5ccccc5)CC4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 399.486 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.637
- 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 · 7968535