Molecule card · MolClass #49977
22409657
22409657: 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
- 22409657Mitochondrial Fusion · compound_name
- MolClass ID
- 49977
- InChIKey
- QWXWFQQMOGFCMK-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)c(c(C)c1)C5C6=C(O)c2ccccc2C6(=Nc4c5(c(C)nn4(c3ccccn3)))
- Standard InChI
- InChI=1S/C28H24N4O/c1-15-13-16(2)22(17(3)14-15)24-23-18(4)31-32(21-11-7-8-12-29-21)28(23)30-26-19-9-5-6-10-20(19)27(33)25(24)26/h5-14,24,33H,1-4H3
- Stored Murcko scaffold
- n1ccccc1-n2ncc3c2N=C4c5ccccc5C=C4C3c6ccccc6
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 432.517 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.555
- 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 · 22409657