Molecule card · MolClass #47935
24828525
24828525: 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
- 24828525Mitochondrial Fusion · compound_name
- MolClass ID
- 47935
- InChIKey
- YJBHCPXWGDICLA-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)P(Nn2cnnc2)(c3ccccc3)=S
- Standard InChI
- InChI=1S/C14H13N4PS/c20-19(13-7-3-1-4-8-13,14-9-5-2-6-10-14)17-18-11-15-16-12-18/h1-12H,(H,17,20)
- Stored Murcko scaffold
- n1ncn(c1)NP(c2ccccc2)c3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.32 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.885
- 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 · 24828525