Molecule card · MolClass #43006
24779683
24779683: 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
- 24779683Mitochondrial Fusion · compound_name
- MolClass ID
- 43006
- InChIKey
- IMAMSPHFCUPVHT-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)n3nnc2C(=O)N(C=Nc23)CC(=O)Nc4cc(C)on4
- Standard InChI
- InChI=1S/C17H15N7O3/c1-10-4-3-5-12(6-10)24-16-15(20-22-24)17(26)23(9-18-16)8-14(25)19-13-7-11(2)27-21-13/h3-7,9H,8H2,1-2H3,(H,19,21,25)
- Stored Murcko scaffold
- n1nn(c2N=CN([CH]c12)C[CH]Nc3nocc3)-c4ccccc4
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- 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
- 118.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.347 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.328
- 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 · 24779683