Molecule card · MolClass #43034
4240821
4240821: 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
- 4240821Mitochondrial Fusion · compound_name
- MolClass ID
- 43034
- InChIKey
- MRCHTWFXFTZPCC-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)Cn3nnc2C(=O)N(C=Nc23)CC(=O)N4CCCCC4
- Standard InChI
- InChI=1S/C19H22N6O2/c1-14-5-7-15(8-6-14)11-25-18-17(21-22-25)19(27)24(13-20-18)12-16(26)23-9-3-2-4-10-23/h5-8,13H,2-4,9-12H2,1H3
- Stored Murcko scaffold
- n1nn(c2N=CN([CH]c12)C[CH]N3CCCCC3)Cc4ccccc4
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
- 7
- 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
- 83.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.418 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.629
- 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 · 4240821