Molecule card · MolClass #51374
14745687
14745687: 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
- 14745687Mitochondrial Fusion · compound_name
- MolClass ID
- 51374
- InChIKey
- XKHVVWZVFWUZDX-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1(C))N2CCN(CC2)C(=O)c4c(C)nn(Cc3ccccc3Cl)c4(C)
- Standard InChI
- InChI=1S/C25H29ClN4O/c1-17-8-7-11-23(18(17)2)28-12-14-29(15-13-28)25(31)24-19(3)27-30(20(24)4)16-21-9-5-6-10-22(21)26/h5-11H,12-16H2,1-4H3
- Stored Murcko scaffold
- n1cc(cn1Cc2ccccc2)[CH]N3CCN(c4ccccc4)CC3
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 436.978 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.405
- 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 · 14745687