Molecule card · MolClass #35955
14729709
14729709: 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
- 14729709Mitochondrial Fusion · compound_name
- MolClass ID
- 35955
- InChIKey
- DDGKCIUDGJMWBV-UHFFFAOYSA-N
- Canonical SMILES
- CC=1C=CN3C(C=1)=NC(N3(C(=O)c2ccccc2))=S
- Standard InChI
- InChI=1S/C14H11N3OS/c1-10-7-8-16-12(9-10)15-14(19)17(16)13(18)11-5-3-2-4-6-11/h2-9H,1H3
- Stored Murcko scaffold
- N=1[CH]N([CH]c2ccccc2)N3C=CC=CC13
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.323 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.463
- 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 · 14729709