Molecule card · MolClass #43917
24806434
24806434: 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
- 24806434Mitochondrial Fusion · compound_name
- MolClass ID
- 43917
- InChIKey
- SVRLFWBXGZTXKX-UHFFFAOYSA-N
- Canonical SMILES
- N#CC2=C(N)N3c4ccccc4(NC3(=C(C#N)C12(CCCC1)))
- Standard InChI
- InChI=1S/C17H15N5/c18-9-11-15(20)22-14-6-2-1-5-13(14)21-16(22)12(10-19)17(11)7-3-4-8-17/h1-2,5-6,21H,3-4,7-8,20H2
- Stored Murcko scaffold
- c1ccc2c(c1)NC3=CC4(C=CN32)CCCC4
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.87 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.74
- 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 · 24806434