Molecule card · MolClass #41892
3711698
3711698: 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
- 3711698Mitochondrial Fusion · compound_name
- MolClass ID
- 41892
- InChIKey
- FUFPPTPUGNRTDK-VZCXRCSSSA-N
- Canonical SMILES
- Cc4nn(c1ccccc1)c5N=CC(=C3N(C)c2ccccc2C3(C)(C))P(=O)(O)c45
- Standard InChI
- InChI=1S/C23H23N4O2P/c1-15-20-22(27(25-15)16-10-6-5-7-11-16)24-14-19(30(20,28)29)21-23(2,3)17-12-8-9-13-18(17)26(21)4/h5-14H,1-4H3,(H,28,29)/b21-19-
- Stored Murcko scaffold
- N1=CC(Pc2cnn(-c3ccccc3)c12)=C4Nc5ccccc5C4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 418.429 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.152
- 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 · 3711698