Molecule card · MolClass #43638
24835154
24835154: 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
- 24835154Mitochondrial Fusion · compound_name
- MolClass ID
- 43638
- InChIKey
- GQRBHELNGWJFCQ-UHFFFAOYSA-N
- Canonical SMILES
- CC4Cc1ccccc1N4(CC(=O)NC3=C(C)N(C)N(c2ccccc2)C3(=O))
- Standard InChI
- InChI=1S/C22H24N4O2/c1-15-13-17-9-7-8-12-19(17)25(15)14-20(27)23-21-16(2)24(3)26(22(21)28)18-10-5-4-6-11-18/h4-12,15H,13-14H2,1-3H3,(H,23,27)
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]C(=CN2)N[CH]CN3c4ccccc4CC3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 376.452 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.448
- 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 · 24835154